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1,2-cyclohexanedicarboxylic acid

View entire compound with spectra: 1 NMR, 2 FTIR, and 7 MS (GC)

1,2-cyclohexanedicarboxylic acid
SpectraBase Compound ID CL5nDXrsWIe
InChI InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)
InChIKey QSAWQNUELGIYBC-UHFFFAOYSA-N
Mol Weight 172.18 g/mol
Molecular Formula C8H12O4
Exact Mass 172.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fe88HfrGvbR
Name Cyclohexane-1,2-dicarboxyylic Acid
CAS Registry Number 2305-32-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O4
InChI InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)
InChIKey QSAWQNUELGIYBC-UHFFFAOYSA-N
Molecular Weight 172.180 g/mol
SMILES OC(C1C(C(=O)O)CCCC1)=O
SPLASH splash10-003r-9300000000-ed1e6a75c852b5337b71
Source of Spectrum O-6-544-2
Synonyms 1,2-Cyclohexanedicarboxylic acid, cis- 1,2-Cyclohexanedicarboxylic acid, trans- 1,2-Cyclohexanedicarboxylic acid cis-1,2-Cyclohexanedicarboxylic Acid cis-Cyclohexane-1,2-dicarboxylic acid Cyclohexane-1,2-dicarboxylic acid trans-1,2-Cyclohexanedicarboxylic Acid trans-Cyclohexane-1,2-dicarboxylic acid AI3-18155 EINECS 218-975-8
Wiley ID 1168468