| SpectraBase Compound ID | FdektPSBl59 |
|---|---|
| InChI | InChI=1S/C14H20O2/c15-14(16)12-8-3-1-2-5-9-13-10-6-4-7-11-13/h4,6-7,10-11H,1-3,5,8-9,12H2,(H,15,16) |
| InChIKey | VZECIAZMSHBQOC-UHFFFAOYSA-N |
| Mol Weight | 220.31 g/mol |
| Molecular Formula | C14H20O2 |
| Exact Mass | 220.14633 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IPBG1FWy3ex |
|---|---|
| Name | 8-Phenyloctanoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.146329882 u |
| Formula | C14H20O2 |
| InChI | InChI=1S/C14H20O2/c15-14(16)12-8-3-1-2-5-9-13-10-6-4-7-11-13/h4,6-7,10-11H,1-3,5,8-9,12H2,(H,15,16) |
| InChIKey | VZECIAZMSHBQOC-UHFFFAOYSA-N |
| Molecular Weight | 220.312 g/mol |
| SMILES | C(CCCCCCC1=CC=CC=C1)C(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.928205 |