| SpectraBase Spectrum ID |
3aTZ4zr7guz |
| Name |
2-Chlorobenzoic acid, 7-pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.232558065 u |
| Formula |
C22H35ClO2 |
| InChI |
InChI=1S/C22H35ClO2/c1-3-5-7-9-10-12-16-19(15-11-8-6-4-2)25-22(24)20-17-13-14-18-21(20)23/h13-14,17-19H,3-12,15-16H2,1-2H3 |
| InChIKey |
JATVRVHMGHMRDP-UHFFFAOYSA-N |
| Molecular Weight |
366.973 g/mol |
| SMILES |
C1=CC=C(C(=C1)Cl)C(OC(CCCCCCCC)CCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.802234 |
