{"data":{"id":"10.6084/m9.figshare.91640","type":"dois","attributes":{"doi":"10.6084/m9.figshare.91640","prefix":"10.6084","suffix":"m9.figshare.91640","identifiers":[],"alternateIdentifiers":[],"creators":[{"name":"Badiola, Katrina","nameType":"Personal","givenName":"Katrina","familyName":"Badiola","affiliation":[],"nameIdentifiers":[{"schemeUri":"https://orcid.org","nameIdentifier":"https://orcid.org/0000-0003-2941-3637","nameIdentifierScheme":"ORCID"}]}],"titles":[{"title":"Raw H-NMR (DMSO-d6) of 2-(3,4-dimethoxyphenyl)-N-(4-nitrobenzylidene)ethanamine"}],"publisher":"figshare","container":{},"publicationYear":2012,"subjects":[{"subject":"Organic Chemistry"},{"subject":"FOS: Chemical sciences","schemeUri":"http://www.oecd.org/science/inno/38235147.pdf","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"FOS: Chemical sciences","subjectScheme":"Fields of Science and Technology (FOS)"}],"contributors":[],"dates":[{"date":"2012-04-19","dateType":"Created"},{"date":"2012-05-08","dateType":"Updated"},{"date":"2012","dateType":"Issued"}],"language":null,"types":{"ris":"DATA","bibtex":"misc","citeproc":"dataset","schemaOrg":"Dataset","resourceType":"Dataset","resourceTypeGeneral":"Dataset"},"relatedIdentifiers":[],"relatedItems":[],"sizes":["39448 Bytes"],"formats":[],"version":null,"rightsList":[{"rights":"Creative Commons Attribution 4.0 International","rightsUri":"https://creativecommons.org/licenses/by/4.0/legalcode","schemeUri":"https://spdx.org/licenses/","rightsIdentifier":"cc-by-4.0","rightsIdentifierScheme":"SPDX"}],"descriptions":[{"description":"Raw H-NMR (300 MHz; DMSO-d\u003csub\u003e6\u003c/sub\u003e) of the isolated crude product from the attempt at the AgOTf catalysed (20 mol%) cyclisation reaction of 2-(3,4-dimethoxyphenyl)-N-(4-nitrobenzylidene)ethanamine to give 6,7-dimethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline (reaction KAB24-6). The spectrum consists of starting material with trace amounts of 4-nitrobenzaldehyde. Greater resolution of the imine proton than in the spectrum recorded in CDCl\u003csub\u003e3\u003c/sub\u003e. SMILES: O=[N+]([O-])C1=CC=C(/C=N/CCC2=CC(OC)=C(OC)C=C2)C=C1 InChI: InChI=1S/C17H18N2O4/c1-22-16-8-5-13(11-17(16)23-2)9-10-18-12-14-3-6-15(7-4-14)19(20)21/h3-8,11-12H,9-10H2,1-2H3/b18-12- \u003csup\u003e1\u003c/sup\u003eH-NMR (300 MHz; DMSO-d\u003csub\u003e6\u003c/sub\u003e): δ 8.40 (s, 1H), 8.30-8.26 (m, 2H), 7.99-7.94 (m, 2H), 6.84 (dd, \u003cem\u003eJ\u003c/em\u003e = 5.0, 3.1 Hz, 2H), 6.74 (dd, \u003cem\u003eJ\u003c/em\u003e = 8.1, 1.9 Hz, 1H), 3.86 (t, \u003cem\u003eJ\u003c/em\u003e = 6.9 Hz, 2H), 2.89 (t, \u003cem\u003eJ\u003c/em\u003e = 7.2 Hz, 2H).","descriptionType":"Abstract"}],"geoLocations":[],"fundingReferences":[],"xml":"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","url":"https://figshare.com/articles/dataset/Raw_H-NMR_(DMSO-d6)_of_2-(3,4-dimethoxyphenyl)-N-(4-nitrobenzylidene)ethanamine/91640","contentUrl":null,"metadataVersion":3,"schemaVersion":"http://datacite.org/schema/kernel-4","source":"mds","isActive":true,"state":"findable","reason":null,"viewCount":0,"viewsOverTime":[],"downloadCount":0,"downloadsOverTime":[],"referenceCount":0,"citationCount":0,"citationsOverTime":[],"partCount":0,"partOfCount":0,"versionCount":0,"versionOfCount":0,"created":"2012-06-11T16:54:06.000Z","registered":"2012-06-11T16:54:06.000Z","published":"2012","updated":"2020-09-05T03:37:28.000Z"},"relationships":{"client":{"data":{"id":"figshare.ars","type":"clients"}},"provider":{"data":{"id":"otjm","type":"providers"}},"media":{"data":{"id":"10.6084/m9.figshare.91640","type":"media"}},"references":{"data":[]},"citations":{"data":[]},"parts":{"data":[]},"partOf":{"data":[]},"versions":{"data":[]},"versionOf":{"data":[]}}}}