| SpectraBase Spectrum ID |
7VXRbGREe52 |
| Name |
3-(1'-Cyanoethyl)-5,7-dimethylphthalide |
| Alternate Name(s) |
2-(4,6-dimethyl-3-oxo-1,3-dihydroisobenzofuran-1-yl)propanenitrile |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H13NO2 |
| InChI |
InChI=1S/C13H13NO2/c1-7-4-8(2)11-10(5-7)12(9(3)6-14)16-13(11)15/h4-5,9,12H,1-3H3 |
| InChIKey |
LGKFYLNXGUAZRI-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1021/ol201563r |
| Molecular Weight |
215.252 g/mol |
| SMILES |
c1(cc(cc2c1C(OC2C(C#N)C)=O)C)C |
| SPLASH |
splash10-03di-0900000000-e834c44c10d412f1200f |
| Source of Spectrum |
A1-13-4153/SMS11-3bdb |
| Wiley ID |
1753568 |
