| SpectraBase Compound ID | AVBYHqqB9rS |
|---|---|
| InChI | InChI=1S/C9H8N2O2/c1-13-9(12)7-4-6(5-10)2-3-8(7)11/h2-4H,11H2,1H3 |
| InChIKey | XVICOGIQWUAIAV-UHFFFAOYSA-N |
| Mol Weight | 176.17 g/mol |
| Molecular Formula | C9H8N2O2 |
| Exact Mass | 176.058578 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 99C9OkGnBc0 |
|---|---|
| Name | METHYL-2-AMINO-5-CYANOBENZOATE |
| Compound Number | 43B-DERIV. |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C9H8N2O2/c1-13-9(12)7-4-6(5-10)2-3-8(7)11/h2-4H,11H2,1H3 |
| InChIKey | XVICOGIQWUAIAV-UHFFFAOYSA-N |
| Literature Reference | J.CHEM.SOC.PERKIN-1,1679(1994) J.CROSBY,J.MOILLIET,J.S.PARRATT,N.J.TURNER |
| Solvent | Acetone-d6 |