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2-(2-Formyl-4-isopropylphenyl)-3-methoxycarbonyl-2,6-dimethylcyclohexanecarboxylic acid
SpectraBase Compound ID JItAn9joux7
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)
InChIKey KYUWKTFHQWTWIC-UHFFFAOYSA-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 z6wENQvQxf
Name 2-(2-Formyl-4-isopropylphenyl)-3-methoxycarbonyl-2,6-dimethylcyclohexanecarboxylic acid
Alternate Name(s) 2-(2-Formyl-4-isopropylphenyl)-6-methoxycarbonyl-2,6-dimethylcyclohexanecarboxylic 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)
InChIKey KYUWKTFHQWTWIC-UHFFFAOYSA-N
Molecular Weight 360.450 g/mol
SMILES OC(C1C(c2c(cc(cc2)C(C)C)C=O)(CCCC1(C(=O)OC)C)C)=O
SPLASH splash10-0012-0970000000-1b8c3fc90e23d314b4fb
Source of Spectrum C3-25-1096-8
Wiley ID 879885