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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 GLJlY70m3E2
Name cis-1,2-Cyclohexanedicarboxylic Acid
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
Ionization Type EI-B
Molecular Weight 172.180 g/mol
SMILES OC(C1C(C(O)=O)CCCC1)=O
SPLASH splash10-003r-9200000000-a9ec620d4f7bd9308ccb
Source of Spectrum SRH-2022-10318-0
Wiley ID 1831935