| SpectraBase Spectrum ID |
BOlfHt9sbCp |
| Name |
2-Chlorobenzoic acid, tetradecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.216908001 u |
| Formula |
C21H33ClO2 |
| InChI |
InChI=1S/C21H33ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-24-21(23)19-16-13-14-17-20(19)22/h13-14,16-17H,2-12,15,18H2,1H3 |
| InChIKey |
NATDFLAPWQOQKI-UHFFFAOYSA-N |
| Molecular Weight |
352.946 g/mol |
| SMILES |
C(=O)(OCCCCCCCCCCCCCC)C=1C(Cl)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867811 |
