Data · dataset · 2012
Raw H-NMR (DMSO-d6) of 2-(3,4-dimethoxyphenyl)-N-(4-nitrobenzylidene)ethanamine
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Raw H-NMR (300 MHz; DMSO-d 6 ) 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).
Description
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 3 .
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- 1 H-NMR (300 MHz; DMSO-d 6 ): δ 8.40 (s, 1H), 8.30-8.26 (m, 2H), 7.99-7.94 (m, 2H), 6.84 (dd, J = 5.0, 3.1 Hz, 2H), 6.74 (dd, J = 8.1, 1.9 Hz, 1H), 3.86 (t, J = 6.9 Hz, 2H), 2.89 (t, J = 7.2 Hz, 2H).
Links
Where it is published
- Repository landing page figshare.com/articles/dataset/Raw_H-NMR_(DMSO-d6)_of_2-(3,4-dimethoxyphenyl… ↗
landing page · from DataCite
- DOI doi.org/10.6084/m9.figshare.91640 ↗
DOI / persistent id · from DataCite
Documentation and papers
Catalogue records · 2
- DataCite API api.datacite.org/dois/10.6084/m9.figshare.91640 ↗
metadata API · from DataCite
- DataCite Commons commons.datacite.org/doi.org/10.6084/m9.figshare.91640 ↗
catalogue entry · from DataCite
Topics
- Stated by source
- Chemical sciences
Provenance · 1 source records, 9 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| DataCite | 10.6084/m9.figshare.91640 | 15 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · DataCite | connector:datacite@1.0.0 | /data/attributes/rightsList |
| byte_size | source · DataCite | connector:datacite@1.0.0 | |
| concepts[field].fos:chemical-sciences | source · DataCite | connector:datacite@1.0.0 | |
| created_date | source · DataCite | connector:datacite@1.0.0 | |
| description | source · DataCite | connector:datacite@1.0.0 | /data/attributes/descriptions |
| license | source · DataCite | connector:datacite@1.0.0 | /data/attributes/rightsList |
| publication_date | source · DataCite | connector:datacite@1.0.0 | /data/attributes/dates |
| title | source · DataCite | connector:datacite@1.0.0 | /data/attributes/titles/0/title |
| updated_date | source · DataCite | connector:datacite@1.0.0 |