SpectraBase Spectrum ID |
118fJI5ndNQ |
Name |
4-Butylbenzoic acid, 2-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/c1-4-6-8-9-10-11-12-13-14-15-16-22(3)27-25(26)24-20-18-23(19-21-24)17-7-5-2/h18-22H,4-17H2,1-3H3 |
InChIKey |
YXXXDZMLZBSGFQ-UHFFFAOYSA-N |
Molecular Weight |
374.609 g/mol |
SMILES |
C1=C(C=CC(=C1)C(OC(CCCCCCCCCCCC)C)=O)CCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.850108 |