| SpectraBase Compound ID | HF8P4H3tkFy |
|---|---|
| InChI | InChI=1S/C11H12O2/c1-9-5-3-4-6-10(9)7-8-11(12)13-2/h3-8H,1-2H3/b8-7+ |
| InChIKey | FVSMIMXZNUZTOE-BQYQJAHWSA-N |
| Mol Weight | 176.21 g/mol |
| Molecular Formula | C11H12O2 |
| Exact Mass | 176.08373 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HDXKSEIluSm |
|---|---|
| Name | 2-Propenoic acid, 3-(2-methylphenyl)-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.083729624 u |
| Formula | C11H12O2 |
| InChI | InChI=1S/C11H12O2/c1-9-5-3-4-6-10(9)7-8-11(12)13-2/h3-8H,1-2H3/b8-7+ |
| InChIKey | FVSMIMXZNUZTOE-BQYQJAHWSA-N |
| Molecular Weight | 176.215 g/mol |
| SMILES | C1=C(C(=CC=C1)C)\C=C\C(OC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.891571 |