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(1S,2R,6R)-2-(benzyloxycarbonylamino)-6-methyl-cyclohexanecarboxylic acid methyl ester
SpectraBase Compound ID FMpejRsILYJ
InChI InChI=1S/C17H23NO4/c1-12-7-6-10-14(15(12)16(19)21-2)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+/m1/s1
InChIKey NGNCDUKWOPUGHM-YUELXQCFSA-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 8bqrDIPTUR5
Name (1S,2R,6R)-2-(benzyloxycarbonylamino)-6-methyl-cyclohexanecarboxylic acid methyl ester
Alternate Name(s) (1S,2R,6R)-2-methyl-6-(phenylmethoxycarbonylamino)-1-cyclohexanecarboxylic acid methyl ester Methyl (1S,2R,6R)-2-methyl-6-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate
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Formula C17H23NO4
InChI InChI=1S/C17H23NO4/c1-12-7-6-10-14(15(12)16(19)21-2)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+/m1/s1
InChIKey NGNCDUKWOPUGHM-YUELXQCFSA-N
Molecular Weight 305.374 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@]1([C@@](C(=O)OC)([C@@](CCC1)(C)[H])[H])[H]
SPLASH splash10-0006-9300000000-89de4ae7440a8b5392d2
Source of Spectrum J-63-6569-12
Wiley ID 1307361