| SpectraBase Spectrum ID |
GYQkmKMmWTQ |
| Name |
o-Cyanobenzoic acid |
| CAS Registry Number |
3839-22-3 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
147.032028403 u |
| Formula |
C8H5NO2 |
| InChI |
InChI=1S/C8H5NO2/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4H,(H,10,11) |
| InChIKey |
DTNSDCJFTHMDAK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
147.133 g/mol |
| Nominal Mass |
147 u |
| Quality |
903 |
| Retention Index |
1106 |
| SMILES |
OC(C1=C(C=CC=C1)C#N)=O |
| SPLASH |
splash10-0ufs-8900000000-50e90329ce8dd52cf3be |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-cyanobenzoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006767 |
