| SpectraBase Spectrum ID |
IHV29oJqNc9 |
| Name |
Fumaric acid, 6-chlorohexyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.144136981 u |
| Formula |
C15H25ClO4 |
| InChI |
InChI=1S/C15H25ClO4/c1-2-3-7-12-19-14(17)9-10-15(18)20-13-8-5-4-6-11-16/h9-10H,2-8,11-13H2,1H3/b10-9+ |
| InChIKey |
CAUCRNPKWRNEAU-MDZDMXLPSA-N |
| Molecular Weight |
304.814 g/mol |
| SMILES |
C(\C=C\C(OCCCCCCCl)=O)(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848621 |
