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(1S,2R,3S)-2-(Benzyloxycarbonylamino)-3-methylcyclohexane-1-carboxylic acid methyl ester
SpectraBase Compound ID JmpzirDe647
InChI InChI=1S/C17H23NO4/c1-12-7-6-10-14(16(19)21-2)15(12)18-17(20)22-11-13-8-4-3-5-9-13/h3-5,8-9,12,14-15H,6-7,10-11H2,1-2H3,(H,18,20)/t12-,14-,15+/m0/s1
InChIKey OBXMQWKSWFXFIY-AEGPPILISA-N
Mol Weight 305.37 g/mol
Molecular Formula C17H23NO4
Exact Mass 305.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 25EqtA58koL
Name (1S,2R,3S)-2-(Benzyloxycarbonylamino)-3-methylcyclohexane-1-carboxylic acid methyl ester
Alternate Name(s) Methyl (1S,2R,3S)-2-{[(benzyloxy)carbonyl]amino}-3-methylcyclohexanecarboxylate
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Formula C17H23NO4
InChI InChI=1S/C17H23NO4/c1-12-7-6-10-14(16(19)21-2)15(12)18-17(20)22-11-13-8-4-3-5-9-13/h3-5,8-9,12,14-15H,6-7,10-11H2,1-2H3,(H,18,20)/t12-,14-,15+/m0/s1
InChIKey OBXMQWKSWFXFIY-AEGPPILISA-N
Molecular Weight 305.374 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@]1([C@@](C(=O)OC)(CCC[C@@]1(C)[H])[H])[H]
SPLASH splash10-00di-3900000000-bee6758a7820d5106c92
Source of Spectrum SO-0-1728-24
Wiley ID 878557