| 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 | 3VE4QKzITAG |
|---|---|
| Name | Benzoic Acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. 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 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/adsc.202000040 |
| Molecular Weight | 122.123 g/mol |
| SMILES | OC(c1ccccc1)=O |
| SPLASH | splash10-0pk9-9700000000-b7dce2f477db7ff6ce4c |
| Source of Spectrum | ASC-362-SM29-Benzoic Acid |
| Wiley ID | 1839182 |