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Methyl 2-(benzyloxycarbonylamino)-3-cyclohexylpropanoate
SpectraBase Compound ID 1izokG5y6HD
InChI InChI=1S/C18H25NO4/c1-22-17(20)16(12-14-8-4-2-5-9-14)19-18(21)23-13-15-10-6-3-7-11-15/h3,6-7,10-11,14,16H,2,4-5,8-9,12-13H2,1H3,(H,19,21)/t16-/m0/s1
InChIKey GPCBBYINDBESQY-INIZCTEOSA-N
Mol Weight 319.4 g/mol
Molecular Formula C18H25NO4
Exact Mass 319.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9EvRHIa3Ptq
Name Methyl 2-(benzyloxycarbonylamino)-3-cyclohexylpropanoate
Alternate Name(s) (S)-2-Benzyloxycarbonylamino-3-cyclohexyl-propionic acid methyl ester (2S)-3-cyclohexyl-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester Methyl (2S)-2-(benzyloxycarbonylamino)-3-cyclohexyl-propanoate Methyl (2S)-3-cyclohexyl-2-(phenylmethoxycarbonylamino)propanoate
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Formula C18H25NO4
InChI InChI=1S/C18H25NO4/c1-22-17(20)16(12-14-8-4-2-5-9-14)19-18(21)23-13-15-10-6-3-7-11-15/h3,6-7,10-11,14,16H,2,4-5,8-9,12-13H2,1H3,(H,19,21)/t16-/m0/s1
InChIKey GPCBBYINDBESQY-INIZCTEOSA-N
Molecular Weight 319.401 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@](C(=O)OC)(CC1CCCCC1)[H]
SPLASH splash10-03di-0190000000-61b50c61060fbdaf3778
Source of Spectrum KC-0-1127-7
Wiley ID 824659