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2-(2'-Formyl-4'-isopropylphenyl)-6-(methoxycarbonyl)-2,6-dimethylcyclohexane-1-carboxylic acid

View entire compound with spectra: 1 MS (GC)

2-(2'-Formyl-4'-isopropylphenyl)-6-(methoxycarbonyl)-2,6-dimethylcyclohexane-1-carboxylic acid
SpectraBase Compound ID CFvua0ITrDO
InChI InChI=1S/C21H28O5/c1-13(2)14-7-8-16(15(11-14)12-22)20(3)9-6-10-21(4,19(25)26-5)17(20)18(23)24/h7-8,11-13,17H,6,9-10H2,1-5H3,(H,23,24)/t17?,20-,21-/m1/s1
InChIKey KYUWKTFHQWTWIC-LTGQRPFBSA-N
Mol Weight 360.45 g/mol
Molecular Formula C21H28O5
Exact Mass 360.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Er6HFxaZomm
Name 2-(2'-Formyl-4'-isopropylphenyl)-6-(methoxycarbonyl)-2,6-dimethylcyclohexane-1-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O5
InChI InChI=1S/C21H28O5/c1-13(2)14-7-8-16(15(11-14)12-22)20(3)9-6-10-21(4,19(25)26-5)17(20)18(23)24/h7-8,11-13,17H,6,9-10H2,1-5H3,(H,23,24)/t17?,20-,21-/m1/s1
InChIKey KYUWKTFHQWTWIC-LTGQRPFBSA-N
Molecular Weight 360.450 g/mol
SMILES OC(C1[C@@](c2c(cc(cc2)C(C)C)C=O)(CCC[C@]1(C(=O)OC)C)C)=O
SPLASH splash10-01pt-0690000000-ff504cce19482cd8abdf
Source of Spectrum Y2-25-1096-8
Synonyms (1R,3S)-3-(2-Formyl-4-isopropyl-phenyl)-1,3-dimethyl-cyclohexane-1,2-dicarboxylic acid 1-methyl ester 2-(2'-Formyl-4'-isopropylphenyl)-6-(methoxycarbonyl0-2,6-dimethylcyclohexane-1-carboxylic acid 2-(2-formyl-4-isopropylphenyl)-6-(methoxycarbonyl)-2,6-dimethylcyclohexanecarboxylic acid
Wiley ID 1547196