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Cyclohexanecarboxylic acid, 1-[2-(3-methoxyphenyl)ethyl]-4,4-dimethyl-2-oxo-, methyl ester, (.+-.)-
SpectraBase Compound ID IruRS59Gsr6
InChI InChI=1S/C19H26O4/c1-18(2)10-11-19(16(20)13-18,17(21)23-4)9-8-14-6-5-7-15(12-14)22-3/h5-7,12H,8-11,13H2,1-4H3
InChIKey ANPVWFHVLMEENA-UHFFFAOYSA-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 BncFMoN9KDw
Name Cyclohexanecarboxylic acid, 1-[2-(3-methoxyphenyl)ethyl]-4,4-dimethyl-2-oxo-, methyl ester, (.+-.)-
CAS Registry Number 78661-18-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O4
InChI InChI=1S/C19H26O4/c1-18(2)10-11-19(16(20)13-18,17(21)23-4)9-8-14-6-5-7-15(12-14)22-3/h5-7,12H,8-11,13H2,1-4H3
InChIKey ANPVWFHVLMEENA-UHFFFAOYSA-N
Molecular Weight 318.413 g/mol
SMILES C1(C(CC(CC1)(C)C)=O)(C(=O)OC)CCc1cc(OC)ccc1
SPLASH splash10-001i-0900000000-dc81daa43cd2a1bdc1d7
Source of Spectrum I-59-1014-0
Synonyms 2-Methoxycarbonyl-5,5-dimethyl-2-(m-methoxyphenethyl)-cyclohexanone Methyl 1-[2-(3-methoxyphenyl)ethyl]-4,4-dimethyl-2-oxocyclohexanecarboxylate
Wiley ID 1318625