| SpectraBase Spectrum ID |
3mXeZ4rkfIk |
| Name |
4-Butylbenzoic acid, pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
388.334130655 u |
| Formula |
C26H44O2 |
| InChI |
InChI=1S/C26H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-23-28-26(27)25-21-19-24(20-22-25)18-6-4-2/h19-22H,3-18,23H2,1-2H3 |
| InChIKey |
BHJAAVUAXRALDM-UHFFFAOYSA-N |
| Molecular Weight |
388.636 g/mol |
| SMILES |
C(=O)(OCCCCCCCCCCCCCCC)C1=CC=C(CCCC)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930597 |
