| SpectraBase Spectrum ID |
7f0uOkzq6WF |
| Name |
4-(4-Chloro-2-methylphenoxy)butyric acid, pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
438.290072942 u |
| Formula |
C26H43ClO3 |
| InChI |
InChI=1S/C26H43ClO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-30-26(28)17-16-21-29-25-19-18-24(27)22-23(25)2/h18-19,22H,3-17,20-21H2,1-2H3 |
| InChIKey |
UVLNCXJMFBDJKT-UHFFFAOYSA-N |
| Molecular Weight |
439.080 g/mol |
| SMILES |
C(CC(OCCCCCCCCCCCCCCC)=O)COC=1C(C)=CC(=CC1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84808 |
