| SpectraBase Spectrum ID |
Ai8o2tVCfRW |
| Name |
4-Butylbenzoic acid, 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/c1-3-5-7-8-9-10-11-12-13-14-15-16-22-27-25(26)24-20-18-23(19-21-24)17-6-4-2/h18-21H,3-17,22H2,1-2H3 |
| InChIKey |
KTDIJHFLBJNYQD-UHFFFAOYSA-N |
| Molecular Weight |
374.609 g/mol |
| SMILES |
C(=O)(OCCCCCCCCCCCCCC)C1=CC=C(CCCC)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913127 |
