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3[N-(Benzyloxycarbonyl)-(R)-alanylamino]-5-methylhexan-2-ol
SpectraBase Compound ID DxRVPS8atRI
InChI InChI=1S/C18H28N2O4/c1-12(2)10-16(14(4)21)20-17(22)13(3)19-18(23)24-11-15-8-6-5-7-9-15/h5-9,12-14,16,21H,10-11H2,1-4H3,(H,19,23)(H,20,22)/t13-,14?,16?/m1/s1
InChIKey RRAQYRINCFOCPO-VQCLRJIVSA-N
Mol Weight 336.43 g/mol
Molecular Formula C18H28N2O4
Exact Mass 336.204907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L4wdyAGo4Ls
Name 3[N-(Benzyloxycarbonyl)-(R)-alanylamino]-5-methylhexan-2-ol
Comments Less than 3 mono-isotopic peaks
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Formula C18H28N2O4
InChI InChI=1S/C18H28N2O4/c1-12(2)10-16(14(4)21)20-17(22)13(3)19-18(23)24-11-15-8-6-5-7-9-15/h5-9,12-14,16,21H,10-11H2,1-4H3,(H,19,23)(H,20,22)/t13-,14?,16?/m1/s1
InChIKey RRAQYRINCFOCPO-VQCLRJIVSA-N
Molecular Weight 336.432 g/mol
SMILES N(C([C@](NC(=O)OCc1ccccc1)(C)[H])=O)C(C(O)C)CC(C)C
SPLASH splash10-0006-9000000000-4ca2e09a451781a741d0
Source of Spectrum U-1996-346-25
Synonyms 23[N-(Benzyloxycarbonyl-(R)-alanylamino]-5-methylhexan-2-ol benzyl (1R)-2-{[1-(1-hydroxyethyl)-3-methylbutyl]amino}-1-methyl-2-oxoethylcarbamate
Wiley ID 768171