| SpectraBase Compound ID | 3KpqxKPYbC8 |
|---|---|
| InChI | InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9) |
| InChIKey | WPYMKLBDIGXBTP-UHFFFAOYSA-N |
| Mol Weight | 122.12 g/mol |
| Molecular Formula | C7H6O2 |
| Exact Mass | 122.036779 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8G1tLaGCtgv |
|---|---|
| Name | Benzoic acid |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
| Formula | C7H6O2 |
| InChI | InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9) |
| InChIKey | WPYMKLBDIGXBTP-UHFFFAOYSA-N |
| SMILES | OC(c1ccccc1)=O |
| SPLASH | splash10-0adi-5900000000-f3717b2fca2f77893739 |
| Source of Spectrum | Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |