| SpectraBase Spectrum ID |
E7nHo1nhWRk |
| Name |
2-Butenedioic acid, 2-ethyl-3-methyl-, dimethyl ester, (Z)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
186.089208927 u |
| Formula |
C9H14O4 |
| InChI |
InChI=1S/C9H14O4/c1-5-7(9(11)13-4)6(2)8(10)12-3/h5H2,1-4H3/b7-6+ |
| InChIKey |
ALSBSLYSTXSJQN-VOTSOKGWSA-N |
| Molecular Weight |
186.207 g/mol |
| SMILES |
CC\C(C(=O)OC)=C\(C)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965957 |
