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1,4-Cyclohexanedicarboxylic acid

View entire compound with spectra: 3 NMR, 6 FTIR, and 8 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EYeXFiYulEe
Name 1,4-Cyclohexanedicarboxylic acid,mixture of cis and trans
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 307033
CAS Registry Number 1076-97-7
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 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
Observed nucleus 13C
Purity 99%
Solvent Methanol-d4
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_006127