| SpectraBase Spectrum ID |
ITm798fpnio |
| Name |
4-Butylbenzoic acid, 3-tetradecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.318480590 u |
| Formula |
C25H42O2 |
| InChI |
InChI=1S/C25H42O2/c1-4-7-9-10-11-12-13-14-15-17-24(6-3)27-25(26)23-20-18-22(19-21-23)16-8-5-2/h18-21,24H,4-17H2,1-3H3 |
| InChIKey |
ODCXTOCTWDASFI-UHFFFAOYSA-N |
| Molecular Weight |
374.609 g/mol |
| SMILES |
C1=C(C=CC(=C1)C(OC(CCCCCCCCCCC)CC)=O)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899491 |
