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Cyclohexanecarboxylic acid, 5-(1,1-dimethylethyl)-1-(4-methoxyphenyl)-2-oxo-, methyl ester, trans-
SpectraBase Compound ID GPt8zBsYyBP
InChI InChI=1S/C19H26O4/c1-18(2,3)14-8-11-16(20)19(12-14,17(21)23-5)13-6-9-15(22-4)10-7-13/h6-7,9-10,14H,8,11-12H2,1-5H3/t14-,19-/m0/s1
InChIKey GOZKVKPYUNQYMR-LIRRHRJNSA-N
Mol Weight 318.41 g/mol
Molecular Formula C19H26O4
Exact Mass 318.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1esMeNkL0u7
Name Cyclohexanecarboxylic acid, 5-(1,1-dimethylethyl)-1-(4-methoxyphenyl)-2-oxo-, methyl ester, trans-
Alternate Name(s) Methyl (1S,5S)-5-tert-butyl-1-(4-methoxyphenyl)-2-oxocyclohexanecarboxylate Methyl trans-5-t-butyl-1-(p-methoxyphenyl)-2-oxocyclohexanecarboxylate
CAS Registry Number 74851-63-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O4
InChI InChI=1S/C19H26O4/c1-18(2,3)14-8-11-16(20)19(12-14,17(21)23-5)13-6-9-15(22-4)10-7-13/h6-7,9-10,14H,8,11-12H2,1-5H3/t14-,19-/m0/s1
InChIKey GOZKVKPYUNQYMR-LIRRHRJNSA-N
Molecular Weight 318.413 g/mol
SMILES [C@@]1(C[C@@](C(C)(C)C)(CCC1=O)[H])(C(=O)OC)c1ccc(cc1)OC
SPLASH splash10-02t9-0597000000-b51a5a53e560e773d957
Source of Spectrum B-33-119-0
Wiley ID 1318620