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3-(4-Hydroxyphenyl)-2-(methoxycarbonyl)cyclohexanone
SpectraBase Compound ID KFn3NOnwEZI
InChI InChI=1S/C14H16O4/c1-18-14(17)13-11(3-2-4-12(13)16)9-5-7-10(15)8-6-9/h5-8,11,13,15H,2-4H2,1H3
InChIKey LXECPVIPTZMWKH-UHFFFAOYSA-N
Mol Weight 248.28 g/mol
Molecular Formula C14H16O4
Exact Mass 248.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kt0GTIR9cuK
Name 3-(4-Hydroxyphenyl)-2-(methoxycarbonyl)cyclohexanone
Alternate Name(s) Methyl 2-(4-hydroxyphenyl)-6-oxocyclohexanecarboxylate
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Formula C14H16O4
InChI InChI=1S/C14H16O4/c1-18-14(17)13-11(3-2-4-12(13)16)9-5-7-10(15)8-6-9/h5-8,11,13,15H,2-4H2,1H3
InChIKey LXECPVIPTZMWKH-UHFFFAOYSA-N
Molecular Weight 248.278 g/mol
SMILES Oc1ccc(C2C(C(=O)OC)C(=O)CCC2)cc1
SPLASH splash10-000j-0790000000-f0964cf841db2c7279e5
Source of Spectrum J-56-2865-62
Wiley ID 1251088