| SpectraBase Spectrum ID |
BZ4BobC6vrp |
| Name |
Sebacic acid, 4-chloro-2-methylbenzyl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.175437110 u |
| Formula |
C20H29ClO4 |
| InChI |
InChI=1S/C20H29ClO4/c1-3-24-19(22)10-8-6-4-5-7-9-11-20(23)25-15-17-12-13-18(21)14-16(17)2/h12-14H,3-11,15H2,1-2H3 |
| InChIKey |
VFWUEXSWTVQFDA-UHFFFAOYSA-N |
| Molecular Weight |
368.901 g/mol |
| SMILES |
C(CCCCCCC(OCC)=O)CC(OCC1=CC=C(C=C1C)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97869 |
