| SpectraBase Spectrum ID |
HbtuFfbHQMx |
| Name |
Sebacic acid, ethyl 2-methoxy-4-chlorobenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
384.170351729 u |
| Formula |
C20H29ClO5 |
| InChI |
InChI=1S/C20H29ClO5/c1-3-25-19(22)10-8-6-4-5-7-9-11-20(23)26-15-16-12-13-17(21)14-18(16)24-2/h12-14H,3-11,15H2,1-2H3 |
| InChIKey |
MCLGQZPFIGZLNR-UHFFFAOYSA-N |
| Molecular Weight |
384.900 g/mol |
| SMILES |
C(CCCCCCC(OCC)=O)CC(OCC1=CC=C(C=C1OC)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97266 |
