| SpectraBase Compound ID | 33aSsQlBSGd |
|---|---|
| InChI | InChI=1S/C11H14O2/c1-9(7-8-11(12)13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,13) |
| InChIKey | UIIMQLPOAXFKFW-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 | IbMzmhnhjbz |
|---|---|
| Name | 4-Phenylvaleric 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/c1-9(7-8-11(12)13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,13) |
| InChIKey | UIIMQLPOAXFKFW-UHFFFAOYSA-N |
| Molecular Weight | 178.231 g/mol |
| SMILES | OC(CCC(C=1C=CC=CC1)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.899666 |