| SpectraBase Compound ID | HHInqBEEzoZ |
|---|---|
| InChI | InChI=1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10) |
| InChIKey | ZWLPBLYKEWSWPD-UHFFFAOYSA-N |
| Mol Weight | 136.15 g/mol |
| Molecular Formula | C8H8O2 |
| Exact Mass | 136.052429 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KPHSnYfV5aV |
|---|---|
| Name | 2-Methyl-benzoic acid |
| CAS Registry Number | 118-90-1 |
| Comments | COUPLING CONSTANTS FROM 2ND REFERENCE P.E.HANSEN, UNI ALBERTA EDMONTON, UNP |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C8H8O2 |
| InChI | InChI=1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10) |
| InChIKey | ZWLPBLYKEWSWPD-UHFFFAOYSA-N |
| Instrument Name | Bruker WH-90 |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | DMSO-D6 |