| SpectraBase Spectrum ID |
GAzv0fTmrLD |
| Name |
4-Cyclohexene-1,2-dicarboxylic acid, 4-(1-oxo-2-propenyl)-, dimethyl ester, trans- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.099773610 u |
| Formula |
C13H16O5 |
| InChI |
InChI=1S/C13H16O5/c1-4-11(14)8-5-6-9(12(15)17-2)10(7-8)13(16)18-3/h4-5,9-10H,1,6-7H2,2-3H3/t9-,10-/m1/s1 |
| InChIKey |
MFKLHWNYBKUURK-NXEZZACHSA-N |
| Molecular Weight |
252.266 g/mol |
| SMILES |
[C@]1([C@](C(=O)OC)(CC=C(C1)C(C=C)=O)[H])(C(=O)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858742 |
