| SpectraBase Compound ID | 4MuqLTwBLRv |
|---|---|
| InChI | InChI=1S/C9H7NO2/c1-6-2-3-7(5-10)4-8(6)9(11)12/h2-4H,1H3,(H,11,12) |
| InChIKey | QIKGGLBHJBTYMP-UHFFFAOYSA-N |
| Mol Weight | 161.16 g/mol |
| Molecular Formula | C9H7NO2 |
| Exact Mass | 161.047678 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Ig46pf0w9o |
|---|---|
| Name | 3-CYANO-6-METHYLBENZOIC ACID |
| Compound Number | 41B |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C9H7NO2/c1-6-2-3-7(5-10)4-8(6)9(11)12/h2-4H,1H3,(H,11,12) |
| InChIKey | QIKGGLBHJBTYMP-UHFFFAOYSA-N |
| Literature Reference | J.CROSBY,J.MOILLIET,J.S.PARRATT,N.J.TURNER J.CHEM.SOC.PERKIN-1,1679(1994) |
| Solvent | Acetone-d6 |