| SpectraBase Compound ID | 8lmxGlAhxBY |
|---|---|
| InChI | InChI=1S/C11H8ClNO2/c1-15-11(14)9(7-13)6-8-4-2-3-5-10(8)12/h2-6H,1H3 |
| InChIKey | MBUUIEJTXSMODJ-UHFFFAOYSA-N |
| Mol Weight | 221.64 g/mol |
| Molecular Formula | C11H8ClNO2 |
| Exact Mass | 221.024356 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | ETJ3C7YJV5j |
|---|---|
| Name | o-Chloro-alpha-cyanocinnamic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.024356200 u |
| Formula | C11H8ClNO2 |
| InChI | InChI=1S/C11H8ClNO2/c1-15-11(14)9(7-13)6-8-4-2-3-5-10(8)12/h2-6H,1H3 |
| InChIKey | MBUUIEJTXSMODJ-UHFFFAOYSA-N |
| Molecular Weight | 221.643 g/mol |
| SMILES | C1=C(C(=CC=C1)C=C(C(OC)=O)C#N)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.718203 |