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Methyl perhydroazepine-1-(benzyloxycarbonyl-2'-yl)ethanoate
SpectraBase Compound ID 7vrXKB6vLmr
InChI InChI=1S/C17H23NO4/c1-21-16(19)12-15-10-6-3-7-11-18(15)17(20)22-13-14-8-4-2-5-9-14/h2,4-5,8-9,15H,3,6-7,10-13H2,1H3/t15-/m0/s1
InChIKey BGCCWMTWTQSPNQ-HNNXBMFYSA-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 HPyemfuojaN
Name Methyl perhydroazepine-1-(benzyloxycarbonyl-2'-yl)ethanoate
Alternate Name(s) (S)-2-Methoxycarbonylmethyl-azepane-1-carboxylic acid benzyl ester
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Formula C17H23NO4
InChI InChI=1S/C17H23NO4/c1-21-16(19)12-15-10-6-3-7-11-18(15)17(20)22-13-14-8-4-2-5-9-14/h2,4-5,8-9,15H,3,6-7,10-13H2,1H3/t15-/m0/s1
InChIKey BGCCWMTWTQSPNQ-HNNXBMFYSA-N
Molecular Weight 305.374 g/mol
SMILES C(N1[C@](CC(=O)OC)(CCCCC1)[H])(OCc1ccccc1)=O
SPLASH splash10-006x-9610000000-d2c67c4994a920376752
Source of Spectrum U-1995-1224-17
Wiley ID 767292