| SpectraBase Spectrum ID |
6jVRv2FPS5M |
| Name |
Methyl-3-cyanobenzoate |
| Alternate Name(s) |
Methyl 3-cyanobenzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H7NO2 |
| InChI |
InChI=1S/C9H7NO2/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-5H,1H3 |
| InChIKey |
XPBHWSMZTSSEJE-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1021/ol1028892 |
| Molecular Weight |
161.160 g/mol |
| SMILES |
c1ccc(cc1C(OC)=O)C#N |
| SPLASH |
splash10-001i-0900000000-228abf855a8e1a4d76fa |
| Source of Spectrum |
A1-13-648/SMS7-Table2,entry6 |
| Wiley ID |
1749867 |
