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N-(Butoxycarbonyl)-cyclohexylalaninal
SpectraBase Compound ID 2DwqPYkeppu
InChI InChI=1S/C14H25NO3/c1-3-4-10-18-14(17)15(12(2)11-16)13-8-6-5-7-9-13/h11-13H,3-10H2,1-2H3/t12-/m0/s1
InChIKey BFDAXEFNRQZSPM-LBPRGKRZSA-N
Mol Weight 255.36 g/mol
Molecular Formula C14H25NO3
Exact Mass 255.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID RdfdopV3m
Name N-(Butoxycarbonyl)-cyclohexylalaninal
Alternate Name(s) N-cyclohexyl-N-[(2S)-1-oxopropan-2-yl]carbamic acid butyl ester Butyl N-cyclohexyl-N-[(2S)-1-oxopropan-2-yl]carbamate Butyl N-cyclohexyl-N-[(1S)-1-methyl-2-oxo-ethyl]carbamate Butyl N-cyclohexyl-N-[(2S)-1-oxidanylidenepropan-2-yl]carbamate
Comments Note: The molecular formula of the structure shown is C14H25NO3 - which differs from the formula reported for the mass spectrum (C14H27NO3)
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Formula C14H27NO3
InChI InChI=1S/C14H25NO3/c1-3-4-10-18-14(17)15(12(2)11-16)13-8-6-5-7-9-13/h11-13H,3-10H2,1-2H3/t12-/m0/s1
InChIKey BFDAXEFNRQZSPM-LBPRGKRZSA-N
Molecular Weight 255.358 g/mol
SMILES C(CCC)OC(=O)N([C@@](C)(C=O)[H])C1CCCCC1
SPLASH splash10-00b9-1920000000-4d2ff97e0fe6cf8b0ccd
Source of Spectrum OP-25-440-3
Wiley ID 850497