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1,3-Cyclohexanedicarboxylic acid, mixture of cis and trans
SpectraBase Compound ID GYuO1CUc4FJ
InChI InChI=1S/C8H12O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)
InChIKey XBZSBBLNHFMTEB-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 3TeZslk77Te
Name 1,3-Cyclohexanedicarboxylic acid, mixture of cis and trans
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 375438
CAS Registry Number 3971-31-1
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)5-2-1-3-6(4-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)
InChIKey XBZSBBLNHFMTEB-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_008086