| SpectraBase Spectrum ID |
1hyrPnW0EDc |
| Name |
8-Benzoyloctanoic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.141244501 u |
| Formula |
C15H20O3 |
| InChI |
InChI=1S/C15H20O3/c16-14(13-9-5-4-6-10-13)11-7-2-1-3-8-12-15(17)18/h4-6,9-10H,1-3,7-8,11-12H2,(H,17,18) |
| InChIKey |
BFUPULAAJVYXRI-UHFFFAOYSA-N |
| Molecular Weight |
248.322 g/mol |
| SMILES |
C(C(=O)O)CCCCCCC(C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926998 |
