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Methyl N-[(4S)-4-Phenylbut-1-en-4-yl)]-(S)-valinate

View entire compound with spectra: 1 MS (GC)

Methyl N-[(4S)-4-Phenylbut-1-en-4-yl)]-(S)-valinate
SpectraBase Compound ID InPZdomTy0x
InChI InChI=1S/C16H23NO2/c1-5-9-14(13-10-7-6-8-11-13)17-15(12(2)3)16(18)19-4/h5-8,10-12,14-15,17H,1,9H2,2-4H3/t14-,15-/m0/s1
InChIKey NKXLAUVDDSIQGA-GJZGRUSLSA-N
Mol Weight 261.36 g/mol
Molecular Formula C16H23NO2
Exact Mass 261.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID YoxJxKHSrm
Name Methyl N-[(4S)-4-Phenylbut-1-en-4-yl)]-(S)-valinate
Alternate Name(s) methyl (2S)-3-methyl-2-[(1-phenyl-3-butenyl)amino]butanoate (2S)-3-methyl-2-[[(1S)-1-phenylbut-3-enyl]amino]butanoic acid methyl ester methyl (2S)-3-methyl-2-[[(1S)-1-phenylbut-3-enyl]amino]butanoate
Comments Less than 3 mono-isotopic peaks
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Formula C16H23NO2
InChI InChI=1S/C16H23NO2/c1-5-9-14(13-10-7-6-8-11-13)17-15(12(2)3)16(18)19-4/h5-8,10-12,14-15,17H,1,9H2,2-4H3/t14-,15-/m0/s1
InChIKey NKXLAUVDDSIQGA-GJZGRUSLSA-N
Molecular Weight 261.365 g/mol
SMILES N([C@](C(=O)OC)(C(C)C)[H])[C@](c1ccccc1)(CC=C)[H]
SPLASH splash10-0w29-0490000000-a3adacbcc5e1e1b2b0e0
Source of Spectrum J-59-7773-2
Wiley ID 1264968