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3-(E)-Hexen-2-one, (5S)-5-[(t-butoxycarbonyl-(S)-alanyl)amino]-
SpectraBase Compound ID EsV890nBACI
InChI InChI=1S/C14H24N2O4/c1-9(7-8-10(2)17)15-12(18)11(3)16-13(19)20-14(4,5)6/h7-9,11H,1-6H3,(H,15,18)(H,16,19)/b8-7+
InChIKey BMJWIWIWVGOPSJ-BQYQJAHWSA-N
Mol Weight 284.36 g/mol
Molecular Formula C14H24N2O4
Exact Mass 284.173607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FDbCcWCxKes
Name 3-(E)-Hexen-2-one, (5S)-5-[(t-butoxycarbonyl-(S)-alanyl)amino]-
Alternate Name(s) 3-(E)-Hexen-2-one, (5S)-5-[(t-butoxycarbonyl-(R)-alanyl)amino]- N-[1-oxo-1-[[(E)-5-oxohex-3-en-2-yl]amino]propan-2-yl]carbamic acid tert-butyl ester N-[2-keto-2-[[(E)-4-keto-1-methyl-pent-2-enyl]amino]-1-methyl-ethyl]carbamic acid tert-butyl ester tert-Butyl N-[1-methyl-2-[[(E)-1-methyl-4-oxo-pent-2-enyl]amino]-2-oxo-ethyl]carbamate tert-Butyl N-[1-oxidanylidene-1-[[(E)-5-oxidanylidenehex-3-en-2-yl]amino]propan-2-yl]carbamate tert-Butyl N-[1-oxo-1-[[(E)-5-oxohex-3-en-2-yl]amino]propan-2-yl]carbamate
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Formula C14H24N2O4
InChI InChI=1S/C14H24N2O4/c1-9(7-8-10(2)17)15-12(18)11(3)16-13(19)20-14(4,5)6/h7-9,11H,1-6H3,(H,15,18)(H,16,19)/b8-7+
InChIKey BMJWIWIWVGOPSJ-BQYQJAHWSA-N
Molecular Weight 284.356 g/mol
SMILES N(C(OC(C)(C)C)=O)C(C(=O)NC(\C=C\C(C)=O)C)C
SPLASH splash10-0006-9100000000-e05323de7237078b4457
Wiley ID 1490904