| SpectraBase Compound ID | 92xXTFskWZf |
|---|---|
| InChI | InChI=1S/C12H14O2/c1-2-3-9-14-12(13)10-11-7-5-4-6-8-11/h2-8H,9-10H2,1H3 |
| InChIKey | MIQNLUMPTQMRJL-UHFFFAOYSA-N |
| Mol Weight | 190.24 g/mol |
| Molecular Formula | C12H14O2 |
| Exact Mass | 190.09938 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8769MIgmWZ |
|---|---|
| Name | Phenylacetic acid, 2-butenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.099379689 u |
| Formula | C12H14O2 |
| InChI | InChI=1S/C12H14O2/c1-2-3-9-14-12(13)10-11-7-5-4-6-8-11/h2-8H,9-10H2,1H3 |
| InChIKey | MIQNLUMPTQMRJL-UHFFFAOYSA-N |
| Molecular Weight | 190.242 g/mol |
| SMILES | CC=CCOC(=O)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.975675 |