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1,4-Cyclohexanedicarboxylic acid
SpectraBase Compound ID JxmvtZGqHsB
InChI InChI=1S/C8H12O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)
InChIKey PXGZQGDTEZPERC-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 KmPsMtxQCHb
Name Cyclohexane-1,4-dicarboxyylic Acid
CAS Registry Number 1076-97-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O4
InChI InChI=1S/C8H12O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)
InChIKey PXGZQGDTEZPERC-UHFFFAOYSA-N
Molecular Weight 172.180 g/mol
SMILES OC(C1CCC(C(=O)O)CC1)=O
SPLASH splash10-053r-9200000000-238230cc9fb16dc0c93e
Source of Spectrum NP-2-5600-0
Synonyms 1,4-Cyclohexanedicarboxylic acid 1,4-Cyclohexanedicarboxylic acid, cis- 1,4-Cyclohexanedicarboxylic acid, trans- cis-1,4-Cyclohexanedicarboxylic acid 1,4-Cyclohexanedicarboxylic acid,c&t 1,4-Dicarboxycyclohexane cis-Hexahydroterephthalic acid trans-1,4-Cyclohexanedicarboxylic acid cyclohexane-1,4-dicarboxylic acid Hexahydroterephthalic acid Terephthalic acid, hexahydro- trans-1,4-Cyclohexyldicarboxylic acid trans-Hexahydroterephthalic acid EINECS 214-068-6
Wiley ID 1101235