| SpectraBase Spectrum ID |
8HrCUUsQGBM |
| Name |
Fumaric acid, 8-chlorooctyl octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.222387303 u |
| Formula |
C20H35ClO4 |
| InChI |
InChI=1S/C20H35ClO4/c1-2-3-4-5-9-12-17-24-19(22)14-15-20(23)25-18-13-10-7-6-8-11-16-21/h14-15H,2-13,16-18H2,1H3/b15-14+ |
| InChIKey |
RLEXIXXJESQPHT-CCEZHUSRSA-N |
| Molecular Weight |
374.949 g/mol |
| SMILES |
C(\C=C\C(OCCCCCCCC)=O)(OCCCCCCCCCl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.865309 |
