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Tert-Butyl 1-benzyl-2-oxocyclohexanecarboxylate
SpectraBase Compound ID BCxqQmVxcm3
InChI InChI=1S/C18H24O3/c1-17(2,3)21-16(20)18(12-8-7-11-15(18)19)13-14-9-5-4-6-10-14/h4-6,9-10H,7-8,11-13H2,1-3H3
InChIKey CNEDPLTXTGTENB-UHFFFAOYSA-N
Mol Weight 288.39 g/mol
Molecular Formula C18H24O3
Exact Mass 288.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3PVlsZ1NNcF
Name Tert-Butyl 1-benzyl-2-oxocyclohexanecarboxylate
Alternate Name(s) 2-Oxo-1-(phenylmethyl)-1-cyclohexanecarboxylic acid tert-butyl ester tert-Butyl 1-benzyl-2-oxocyclohexane-1-carboxylate tert-Butyl 1-benzyl-2-oxo-cyclohexanecarboxylate tert-Butyl 2-oxidanylidene-1-(phenylmethyl)cyclohexane-1-carboxylate
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Formula C18H24O3
InChI InChI=1S/C18H24O3/c1-17(2,3)21-16(20)18(12-8-7-11-15(18)19)13-14-9-5-4-6-10-14/h4-6,9-10H,7-8,11-13H2,1-3H3
InChIKey CNEDPLTXTGTENB-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200600355
Molecular Weight 288.387 g/mol
SMILES C1(CCCCC1=O)(Cc1ccccc1)C(=O)OC(C)(C)C
SPLASH splash10-0a4i-9100000000-065f8fa868fcbdc3358e
Source of Spectrum ASC-349-432/SM17-27a
Wiley ID 1765485