| SpectraBase Spectrum ID |
4KLBbPEY1bR |
| Name |
3-Cyanomethyl-5,7-dimethylphthalide |
| Alternate Name(s) |
2-(4,6-dimethyl-3-oxo-1,3-dihydroisobenzofuran-1-yl)acetonitrile
2-(4,6-dimethyl-3-oxo-1H-2-benzofuran-1-yl)acetonitrile
2-(4,6-dimethyl-3-oxo-1H-isobenzofuran-1-yl)acetonitrile
2-(4,6-dimethyl-3-oxidanylidene-1H-2-benzofuran-1-yl)ethanenitrile |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H11NO2 |
| InChI |
InChI=1S/C12H11NO2/c1-7-5-8(2)11-9(6-7)10(3-4-13)15-12(11)14/h5-6,10H,3H2,1-2H3 |
| InChIKey |
SRJYIVDWYXLALR-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1021/ol201563r |
| Molecular Weight |
201.225 g/mol |
| SMILES |
c1(C)cc(cc2C(OC(c12)=O)CC#N)C |
| SPLASH |
splash10-03di-2920000000-f33584f3c8e4cdce0989 |
| Source of Spectrum |
A1-13-4153/SMS4-3bc |
| Wiley ID |
1753566 |
