| SpectraBase Spectrum ID |
ACRtvoSSHH4 |
| Name |
Sebacic acid, 2-(2-chlorophenoxy)ethyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.186001793 u |
| Formula |
C21H31ClO5 |
| InChI |
InChI=1S/C21H31ClO5/c1-2-15-26-20(23)13-7-5-3-4-6-8-14-21(24)27-17-16-25-19-12-10-9-11-18(19)22/h9-12H,2-8,13-17H2,1H3 |
| InChIKey |
OJIINOFULAOQQU-UHFFFAOYSA-N |
| Molecular Weight |
398.927 g/mol |
| SMILES |
C(CCCCCCCC(OCCOC1=C(C=CC=C1)Cl)=O)C(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953446 |
