| SpectraBase Spectrum ID |
1U3q6GJpkY1 |
| Name |
3-Cyanomethyl-7-methylphthalide |
| Alternate Name(s) |
2-(4-Methyl-3-oxo-1,3-dihydroisobenzofuran-1-yl)acetonitrile |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H9NO2 |
| InChI |
InChI=1S/C11H9NO2/c1-7-3-2-4-8-9(5-6-12)14-11(13)10(7)8/h2-4,9H,5H2,1H3 |
| InChIKey |
XOVMJHUTDCUUNW-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1021/ol201563r |
| Molecular Weight |
187.198 g/mol |
| SMILES |
c1(C)cccc2C(OC(c12)=O)CC#N |
| SPLASH |
splash10-0005-4900000000-6cfa7be2a177bf659535 |
| Source of Spectrum |
A1-13-4153/SMS4-3ac |
| Wiley ID |
1753564 |
