| SpectraBase Spectrum ID |
3yECJaklDKg |
| Name |
Fumaric acid, 6-chlorohexyl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
290.128486917 u |
| Formula |
C14H23ClO4 |
| InChI |
InChI=1S/C14H23ClO4/c1-12(2)11-19-14(17)8-7-13(16)18-10-6-4-3-5-9-15/h7-8,12H,3-6,9-11H2,1-2H3/b8-7+ |
| InChIKey |
IZZPLRZONJCKPW-BQYQJAHWSA-N |
| SMILES |
C(\C=C\C(OCCCCCCCl)=O)(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947844 |
