| SpectraBase Spectrum ID |
HMFmEYSvfAc |
| Name |
3,5-bis(oct-1-Enyl)benzoic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.255880333 u |
| Formula |
C23H34O2 |
| InChI |
InChI=1S/C23H34O2/c1-3-5-7-9-11-13-15-20-17-21(19-22(18-20)23(24)25)16-14-12-10-8-6-4-2/h13-19H,3-12H2,1-2H3,(H,24,25)/b15-13-,16-14+ |
| InChIKey |
RWBDHBPRXSAUBO-VCFJNTAESA-N |
| Molecular Weight |
342.523 g/mol |
| SMILES |
C=1(C(=O)O)C=C(\C=C/CCCCCC)C=C(C1)\C=C\CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.982802 |
