| SpectraBase Spectrum ID |
9g5x3lBs8J0 |
| Name |
3-Cyanomethyl-4,5,6,7-tetradeuterophthalide |
| Alternate Name(s) |
2-(4,5,6,7-tetradeutero-3-oxo-1,3-dihydroisobenzofuran-1-yl)acetonitrile |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H3D4NO2 |
| InChI |
InChI=1S/C10H7NO2/c11-6-5-9-7-3-1-2-4-8(7)10(12)13-9/h1-4,9H,5H2/i1D,2D,3D,4D |
| InChIKey |
LGLLUFNSKWOZQQ-RHQRLBAQSA-N |
| Literature Reference DOI |
10.1021/ol201563r |
| Molecular Weight |
177.195 g/mol |
| SMILES |
c1(c(c(c(c2c1C(OC2CC#N)=O)[D])[D])[D])[D] |
| SPLASH |
splash10-000i-2900000000-d16ab39830b6dc836c26 |
| Source of Spectrum |
A1-13-4153/SMS13-3lc_[D4] |
| Wiley ID |
1753582 |
