SpectraBase Spectrum ID |
5QttUCdAJZI |
Name |
4-Cyclohexene-1,2-diacetic acid, dimethyl ester, cis- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
226.120509056 u |
Formula |
C12H18O4 |
InChI |
InChI=1S/C12H18O4/c1-15-11(13)7-9-5-3-4-6-10(9)8-12(14)16-2/h3-4,9-10H,5-8H2,1-2H3/t9-,10+ |
InChIKey |
MNNDHWWDUFABCI-AOOOYVTPSA-N |
Molecular Weight |
226.272 g/mol |
SMILES |
C(C[C@]1([C@@](CC(=O)OC)(CC=CC1)[H])[H])(=O)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.986071 |