| SpectraBase Spectrum ID |
L0Zv4ycAHkK |
| Name |
3-Cyanomethyl-5,7-dimethoxyphthalide |
| Alternate Name(s) |
2-(4,6-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)acetonitrile |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H11NO4 |
| InChI |
InChI=1S/C12H11NO4/c1-15-7-5-8-9(3-4-13)17-12(14)11(8)10(6-7)16-2/h5-6,9H,3H2,1-2H3 |
| InChIKey |
BBURXDUYVQWPPT-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1021/ol201563r |
| Molecular Weight |
233.223 g/mol |
| SMILES |
c1(cc(OC)cc2c1C(OC2CC#N)=O)OC |
| SPLASH |
splash10-0006-0910000000-99082b3b8f54636faacb |
| Source of Spectrum |
A1-13-4153/SMS7-3dc |
| Wiley ID |
1753574 |
