| SpectraBase Spectrum ID |
CXliNIHvAZb |
| Name |
Fumaric acid, 2-octyl 8-chlorooctyl 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/c1-3-4-5-10-13-18(2)25-20(23)15-14-19(22)24-17-12-9-7-6-8-11-16-21/h14-15,18H,3-13,16-17H2,1-2H3/b15-14+ |
| InChIKey |
LKOHSJLXLOGHMV-CCEZHUSRSA-N |
| Molecular Weight |
374.949 g/mol |
| SMILES |
C(\C=C\C(OCCCCCCCCCl)=O)(OC(CCCCCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926138 |
