| SpectraBase Spectrum ID |
79Us2LpYRj3 |
| Name |
Fumaric acid, butyl 2-chloroethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.065886659 u |
| Formula |
C10H15ClO4 |
| InChI |
InChI=1S/C10H15ClO4/c1-2-3-7-14-9(12)4-5-10(13)15-8-6-11/h4-5H,2-3,6-8H2,1H3/b5-4+ |
| InChIKey |
YYWWZUYQNSOEEQ-SNAWJCMRSA-N |
| Molecular Weight |
234.679 g/mol |
| SMILES |
C(\C=C\C(OCCCC)=O)(OCCCl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962351 |
