| SpectraBase Spectrum ID |
5B50NqCBBIX |
| Name |
Succinic acid, 8-chlorooctyl phenethyl 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/c21-15-8-3-1-2-4-9-16-24-19(22)12-13-20(23)25-17-14-18-10-6-5-7-11-18/h5-7,10-11H,1-4,8-9,12-17H2 |
| InChIKey |
JOTGGCGKNQGYDU-UHFFFAOYSA-N |
| Molecular Weight |
368.901 g/mol |
| SMILES |
C(CC(OCCCCCCCCCl)=O)C(OCCC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881745 |
