| SpectraBase Compound ID | GEKZuIOYVfg |
|---|---|
| InChI | InChI=1S/C13H18O2/c14-13(15)11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2,(H,14,15) |
| InChIKey | ZVSXKFNTWOIGJI-UHFFFAOYSA-N |
| Mol Weight | 206.28 g/mol |
| Molecular Formula | C13H18O2 |
| Exact Mass | 206.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EMti6gzIfic |
|---|---|
| Name | 7-Phenylheptanoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.130679818 u |
| Formula | C13H18O2 |
| InChI | InChI=1S/C13H18O2/c14-13(15)11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2,(H,14,15) |
| InChIKey | ZVSXKFNTWOIGJI-UHFFFAOYSA-N |
| Molecular Weight | 206.285 g/mol |
| SMILES | C1=CC=C(C=C1)CCCCCCC(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949884 |