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

View entire compound with spectra: 1 FTIR

3,3-Dimethyl-4-cyclohexene-1,cis-2-dicarboxylic acid
SpectraBase Compound ID DXEUa9799rg
InChI InChI=1S/C10H14O4/c1-10(2)5-3-4-6(8(11)12)7(10)9(13)14/h3,5-7H,4H2,1-2H3,(H,11,12)(H,13,14)
InChIKey ROTWQRDHHJTHCW-UHFFFAOYSA-N
Mol Weight 198.22 g/mol
Molecular Formula C10H14O4
Exact Mass 198.089209 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID I7HlWnknjRz
Name 3,3-Dimethyl-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 198.089208927 u
Formula C10H14O4
InChI InChI=1S/C10H14O4/c1-10(2)5-3-4-6(8(11)12)7(10)9(13)14/h3,5-7H,4H2,1-2H3,(H,11,12)(H,13,14)
InChIKey ROTWQRDHHJTHCW-UHFFFAOYSA-N
Molecular Weight 198.218 g/mol
SMILES C=1C(C(C(CC1)C(O)=O)C(=O)O)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.972954