| SpectraBase Spectrum ID |
2Puzhmh5qWJ |
| Name |
Fumaric acid, 2-ethylhexyl 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/c1-3-5-12-18(4-2)17-25-20(23)14-13-19(22)24-16-11-9-7-6-8-10-15-21/h13-14,18H,3-12,15-17H2,1-2H3/b14-13+ |
| InChIKey |
CDGICESZGJASDK-BUHFOSPRSA-N |
| Molecular Weight |
374.949 g/mol |
| SMILES |
C(\C=C\C(OCCCCCCCCCl)=O)(OCC(CC)CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946754 |
