| SpectraBase Spectrum ID |
21ro2QRg7QH |
| Name |
Fumaric acid, 10-chlorodecyl octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.253687432 u |
| Formula |
C22H39ClO4 |
| InChI |
InChI=1S/C22H39ClO4/c1-2-3-4-5-11-14-19-26-21(24)16-17-22(25)27-20-15-12-9-7-6-8-10-13-18-23/h16-17H,2-15,18-20H2,1H3/b17-16+ |
| InChIKey |
LCSYCOIHYYRUDF-WUKNDPDISA-N |
| Molecular Weight |
403.003 g/mol |
| SMILES |
C(OCCCCCCCCCCCl)(\C=C\C(OCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969215 |
