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(S)-2-Benzyloxycarbonylamino-4-oxo-4-phenylbutanoylazepanine
SpectraBase Compound ID 7AxlPiZqXIO
InChI InChI=1S/C24H28N2O4/c27-22(20-13-7-4-8-14-20)17-21(23(28)26-15-9-1-2-10-16-26)25-24(29)30-18-19-11-5-3-6-12-19/h3-8,11-14,21H,1-2,9-10,15-18H2,(H,25,29)
InChIKey UBDCNDHIKAGBEL-UHFFFAOYSA-N
Mol Weight 408.5 g/mol
Molecular Formula C24H28N2O4
Exact Mass 408.204907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GmEVbLcxsFD
Name (S)-2-Benzyloxycarbonylamino-4-oxo-4-phenylbutanoylazepanine
Alternate Name(s) N-[1-(1-azepanyl)-1,4-dioxo-4-phenylbutan-2-yl]carbamic acid (phenylmethyl) ester benzyl N-[1-(azepan-1-yl)-1,4-dioxo-4-phenylbutan-2-yl]carbamate benzyl N-[1-(azepane-1-carbonyl)-3-oxo-3-phenyl-propyl]carbamate (phenylmethyl) N-[1-(azepan-1-yl)-1,4-bis(oxidanylidene)-4-phenyl-butan-2-yl]carbamate
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Formula C24H28N2O4
InChI InChI=1S/C24H28N2O4/c27-22(20-13-7-4-8-14-20)17-21(23(28)26-15-9-1-2-10-16-26)25-24(29)30-18-19-11-5-3-6-12-19/h3-8,11-14,21H,1-2,9-10,15-18H2,(H,25,29)
InChIKey UBDCNDHIKAGBEL-UHFFFAOYSA-N
Molecular Weight 408.498 g/mol
SMILES N(C(=O)OCc1ccccc1)C(C(N1CCCCCC1)=O)CC(=O)c1ccccc1
SPLASH splash10-052f-9400000000-69d4381f04d0445c1832
Source of Spectrum QC-9-4467-5
Wiley ID 870951