| SpectraBase Compound ID | Cx2nbApOuBI |
|---|---|
| InChI | InChI=1S/C11H14O2/c1-2-10(11(12)13)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,12,13) |
| InChIKey | CYVVFWBKWGJMNQ-UHFFFAOYSA-N |
| Mol Weight | 178.23 g/mol |
| Molecular Formula | C11H14O2 |
| Exact Mass | 178.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4PFQlxoX54U |
|---|---|
| Name | Hydrocinnamic acid, .alpha.-ethyl- |
| 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/c1-2-10(11(12)13)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,12,13) |
| InChIKey | CYVVFWBKWGJMNQ-UHFFFAOYSA-N |
| Molecular Weight | 178.231 g/mol |
| SMILES | C1=C(CC(CC)C(O)=O)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954832 |