| SpectraBase Spectrum ID |
4BxIAAj5bC4 |
| Name |
Fumaric acid, 8-chlorooctyl heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
360.206737239 u |
| Formula |
C19H33ClO4 |
| InChI |
InChI=1S/C19H33ClO4/c1-2-3-4-8-11-16-23-18(21)13-14-19(22)24-17-12-9-6-5-7-10-15-20/h13-14H,2-12,15-17H2,1H3/b14-13+ |
| InChIKey |
FBIIAROAPWHMQC-BUHFOSPRSA-N |
| Molecular Weight |
360.922 g/mol |
| SMILES |
C(\C=C\C(OCCCCCCC)=O)(OCCCCCCCCCl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.805253 |
