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4-Cyclohexene-1,2-diacetic acid, dimethyl ester, cis-
SpectraBase Compound ID BkqGAZbsxFV
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
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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