| SpectraBase Compound ID | KExZVeSi0n9 |
|---|---|
| InChI | InChI=1S/C10H9NO3/c1-13-9-4-3-7(10(12)14-2)5-8(9)6-11/h3-5H,1-2H3 |
| InChIKey | RYJSFYBJYKFNCF-UHFFFAOYSA-N |
| Mol Weight | 191.19 g/mol |
| Molecular Formula | C10H9NO3 |
| Exact Mass | 191.058243 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9ZFWTHyIV45 |
|---|---|
| Name | 3-Cyano-p-anisic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.058243151 u |
| Formula | C10H9NO3 |
| InChI | InChI=1S/C10H9NO3/c1-13-9-4-3-7(10(12)14-2)5-8(9)6-11/h3-5H,1-2H3 |
| InChIKey | RYJSFYBJYKFNCF-UHFFFAOYSA-N |
| Molecular Weight | 191.186 g/mol |
| SMILES | C=1C(=CC=C(C1C#N)OC)C(OC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.904138 |