| SpectraBase Compound ID | 4LOHizmcQ4l |
|---|---|
| InChI | InChI=1S/C11H14O2/c1-2-9(8-11(12)13)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,12,13) |
| InChIKey | NJEKDDOCPZKREE-UHFFFAOYSA-N |
| Mol Weight | 178.23 g/mol |
| Molecular Formula | C11H14O2 |
| Exact Mass | 178.09938 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3rtzstXJxs2 |
|---|---|
| Name | beta-Ethylhydrocinnamic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.099379689 u |
| Formula | C11H14O2 |
| InChI | InChI=1S/C11H14O2/c1-2-9(8-11(12)13)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,12,13) |
| InChIKey | NJEKDDOCPZKREE-UHFFFAOYSA-N |
| Molecular Weight | 178.231 g/mol |
| SMILES | OC(CC(C1=CC=CC=C1)CC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.981691 |