| SpectraBase Compound ID | Ccld2WPMA2n |
|---|---|
| InChI | InChI=1S/C11H10O3/c1-8-2-4-9(5-3-8)10(12)6-7-11(13)14/h2-7H,1H3,(H,13,14)/b7-6+ |
| InChIKey | VNJMEFZKYZHWEO-VOTSOKGWSA-N |
| Mol Weight | 190.2 g/mol |
| Molecular Formula | C11H10O3 |
| Exact Mass | 190.062994 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3dK9h5knNB3 |
|---|---|
| Name | 3-(4-Methylbenzoyl)acrylic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.062994179 u |
| Formula | C11H10O3 |
| InChI | InChI=1S/C11H10O3/c1-8-2-4-9(5-3-8)10(12)6-7-11(13)14/h2-7H,1H3,(H,13,14)/b7-6+ |
| InChIKey | VNJMEFZKYZHWEO-VOTSOKGWSA-N |
| Molecular Weight | 190.198 g/mol |
| SMILES | OC(\C=C\C(C1=CC=C(C=C1)C)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.978284 |