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(1alpha,3alpha,5beta)-1,3,5-Trimethyl-1,3,5-cyclohexanetricarboxylic acid

View entire compound with spectra: 2 NMR, and 1 FTIR

(1alpha,3alpha,5beta)-1,3,5-Trimethyl-1,3,5-cyclohexanetricarboxylic acid
SpectraBase Compound ID 2qfpmFoNcSX
InChI InChI=1S/C12H18O6/c1-10(7(13)14)4-11(2,8(15)16)6-12(3,5-10)9(17)18/h4-6H2,1-3H3,(H,13,14)(H,15,16)(H,17,18)/t10-,11-,12-
InChIKey AZWHPGZNOIYGFB-AQHSTMNCSA-N
Mol Weight 258.27 g/mol
Molecular Formula C12H18O6
Exact Mass 258.110338 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BRYrTwv71uy
Name (1alpha,3alpha,5beta)-1,3,5-Trimethyl-1,3,5-cyclohexanetricarboxylic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 368067
CAS Registry Number 118514-35-5
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O6
InChI InChI=1S/C12H18O6/c1-10(7(13)14)4-11(2,8(15)16)6-12(3,5-10)9(17)18/h4-6H2,1-3H3,(H,13,14)(H,15,16)(H,17,18)/t10-,11-,12-
InChIKey AZWHPGZNOIYGFB-AQHSTMNCSA-N
Observed nucleus 1H
Purity 99%
Solvent Methanol-d4
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Kemp's triacid 79410-20-1 1,3,5-trimethylcyclohexane-1,3,5-tricarboxylic acid MLS000096767 Cis,cis-1,3,5-Trimethylcyclohexane-1,3,5-tricarboxylic acid
Wiley ID SIAL_1HNMR_007757