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3,3,4-Trimethyl-4-cyclohexene-1,cis-2-dicarboxylic acid

View entire compound with spectra: 1 FTIR

3,3,4-Trimethyl-4-cyclohexene-1,cis-2-dicarboxylic acid
SpectraBase Compound ID 2OcvBUK0DXU
InChI InChI=1S/C11H16O4/c1-6-4-5-7(9(12)13)8(10(14)15)11(6,2)3/h4,7-8H,5H2,1-3H3,(H,12,13)(H,14,15)
InChIKey QLMWSDFQVJQTRA-UHFFFAOYSA-N
Mol Weight 212.24 g/mol
Molecular Formula C11H16O4
Exact Mass 212.104859 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8SzuXF6361k
Name 3,3,4-Trimethyl-4-cyclohexene-1,cis-2-dicarboxylic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 212.104858991 u
Formula C11H16O4
InChI InChI=1S/C11H16O4/c1-6-4-5-7(9(12)13)8(10(14)15)11(6,2)3/h4,7-8H,5H2,1-3H3,(H,12,13)(H,14,15)
InChIKey QLMWSDFQVJQTRA-UHFFFAOYSA-N
Molecular Weight 212.245 g/mol
SMILES C1(=CCC(C(C1(C)C)C(O)=O)C(=O)O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940548