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3-[(Benzyloxycarbonyl)amino]-4,4-dimethylcyclohexan-1-one
SpectraBase Compound ID Bh6ODz7bIn7
InChI InChI=1S/C16H21NO3/c1-16(2)9-8-13(18)10-14(16)17-15(19)20-11-12-6-4-3-5-7-12/h3-7,14H,8-11H2,1-2H3,(H,17,19)
InChIKey PYTQLSWNFJYUTD-UHFFFAOYSA-N
Mol Weight 275.35 g/mol
Molecular Formula C16H21NO3
Exact Mass 275.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DE5kJgTVKuM
Name 3-[(Benzyloxycarbonyl)amino]-4,4-dimethylcyclohexan-1-one
Alternate Name(s) benzyl 2,2-dimethyl-5-oxocyclohexylcarbamate N-(2,2-dimethyl-5-oxocyclohexyl)carbamic acid (phenylmethyl) ester benzyl N-(2,2-dimethyl-5-oxocyclohexyl)carbamate benzyl N-(2,2-dimethyl-5-oxo-cyclohexyl)carbamate (phenylmethyl) N-(2,2-dimethyl-5-oxidanylidene-cyclohexyl)carbamate
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Formula C16H21NO3
InChI InChI=1S/C16H21NO3/c1-16(2)9-8-13(18)10-14(16)17-15(19)20-11-12-6-4-3-5-7-12/h3-7,14H,8-11H2,1-2H3,(H,17,19)
InChIKey PYTQLSWNFJYUTD-UHFFFAOYSA-N
Molecular Weight 275.348 g/mol
SMILES N(C1C(CCC(C1)=O)(C)C)C(=O)OCc1ccccc1
SPLASH splash10-0006-9130000000-ab9502e6c7bdb8c2be3c
Source of Spectrum I-78-929-5
Wiley ID 812715