| SpectraBase Spectrum ID |
5CzPH4grQXM |
| Name |
4-Chlorobenzoic acid, heptadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.263858194 u |
| Formula |
C24H39ClO2 |
| InChI |
InChI=1S/C24H39ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-27-24(26)22-17-19-23(25)20-18-22/h17-20H,2-16,21H2,1H3 |
| InChIKey |
CYYSHQZPMDQDGC-UHFFFAOYSA-N |
| Molecular Weight |
395.027 g/mol |
| SMILES |
C(CCCCCCCCCCCC)CCCCOC(=O)C1=CC=C(C=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891802 |
