| SpectraBase Spectrum ID |
3jSavSiLxP5 |
| Name |
3-Chloro2-fluorobenzoic acid, 6-pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
384.223136196 u |
| Formula |
C22H34ClFO2 |
| InChI |
InChI=1S/C22H34ClFO2/c1-3-5-7-8-9-10-12-15-18(14-11-6-4-2)26-22(25)19-16-13-17-20(23)21(19)24/h13,16-18H,3-12,14-15H2,1-2H3 |
| InChIKey |
XRFKUCZZWKPQTF-UHFFFAOYSA-N |
| Molecular Weight |
384.963 g/mol |
| SMILES |
C1(=CC=CC(=C1F)Cl)C(OC(CCCCC)CCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.803834 |
