| SpectraBase Spectrum ID |
5Tv4IOy1KB8 |
| Name |
Sebacic acid, 4-chlorophenethyl 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/c1-2-24-19(22)9-7-5-3-4-6-8-10-20(23)25-16-15-17-11-13-18(21)14-12-17/h11-14H,2-10,15-16H2,1H3 |
| InChIKey |
MEUGEJYEKFPDLI-UHFFFAOYSA-N |
| Molecular Weight |
368.901 g/mol |
| SMILES |
C(CCCCCCCC(OCCC1=CC=C(C=C1)Cl)=O)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966684 |
