| SpectraBase Compound ID | 3KpqdyFFrNc |
|---|---|
| InChI | InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1 |
| InChIKey | WPYMKLBDIGXBTP-UHFFFAOYSA-M |
| Mol Weight | 121.11 g/mol |
| Molecular Formula | C7H5O2 |
| Exact Mass | 121.028954 g/mol |
17O Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5L9VbneUMu0 |
|---|---|
| Name | BENZOATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C7H5O2 |
| InChI | InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1 |
| InChIKey | WPYMKLBDIGXBTP-UHFFFAOYSA-M |
| Literature Reference Author | H.DAHN,M.UNG-TRUONG |
| Literature Reference Citation | HELV.CHIM.ACTA,70,2130(1987) |
| Literature Reference DOI | 10.1002/hlca.19870700818 |
| Solvent | H2O-16 |
| Source File Reference | UHPK1189 |