| SpectraBase Spectrum ID |
Lf5VJylLom0 |
| Name |
Fumaric acid, 2-chloroethyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.081536723 u |
| Formula |
C11H17ClO4 |
| InChI |
InChI=1S/C11H17ClO4/c1-2-3-4-8-15-10(13)5-6-11(14)16-9-7-12/h5-6H,2-4,7-9H2,1H3/b6-5+ |
| InChIKey |
KJRXIVFTNUPQCL-AATRIKPKSA-N |
| Molecular Weight |
248.706 g/mol |
| SMILES |
C(\C=C\C(OCCCCC)=O)(OCCCl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954963 |
