| SpectraBase Spectrum ID |
5g8V8UcH09F |
| Name |
Benzoic acid, 2-cyano-, methyl ester |
| Alternate Name(s) |
2-cyanobenzoic acid methyl ester
Benzoic acid, o-cyano-, methyl ester
Methyl 2-cyanobenzoate
Methyl o-cyanobenzoate |
| CAS Registry Number |
6587-24-2 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H7NO2 |
| InChI |
InChI=1S/C9H7NO2/c1-12-9(11)8-5-3-2-4-7(8)6-10/h2-5H,1H3 |
| InChIKey |
RAMPDACRJWTXEV-UHFFFAOYSA-N |
| Molecular Weight |
161.160 g/mol |
| SMILES |
C(c1c(C#N)cccc1)(=O)OC |
| SPLASH |
splash10-001i-0900000000-7210ca8593375de3891f |
| Source of Spectrum |
KC-0-2325-3 |
| Wiley ID |
828728 |
