| SpectraBase Compound ID | FRr8scT0BVw |
|---|---|
| InChI | InChI=1S/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11) |
| InChIKey | ADCUEPOHPCPMCE-UHFFFAOYSA-N |
| Mol Weight | 147.13 g/mol |
| Molecular Formula | C8H5NO2 |
| Exact Mass | 147.032028 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3oDbKTCU0kb |
|---|---|
| Name | BENZOIC ACID, 4-CYANO- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C8H5NO2 |
| InChI | InChI=1S/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11) |
| InChIKey | ADCUEPOHPCPMCE-UHFFFAOYSA-N |
| Molecular Weight | 147.0319 |
| SMILES | OC(=O)c1ccc(C#N)cc1 |
| SPLASH | splash10-0ue9-8900000000-cbd7b422c88e97466987 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |