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2-[N-(Benzyloxycarbonyl-(S)-alanyl)amino]-4-methylpentan-1-ol
SpectraBase Compound ID 3qsEoLO562Z
InChI InChI=1S/C17H26N2O4/c1-12(2)9-15(10-20)19-16(21)13(3)18-17(22)23-11-14-7-5-4-6-8-14/h4-8,12-13,15,20H,9-11H2,1-3H3,(H,18,22)(H,19,21)/t13-,15?/m0/s1
InChIKey VPYOOUJOXZZONW-CFMCSPIPSA-N
Mol Weight 322.4 g/mol
Molecular Formula C17H26N2O4
Exact Mass 322.189257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A6UiIGFl67h
Name 2-[N-(Benzyloxycarbonyl-(S)-alanyl)amino]-4-methylpentan-1-ol
Alternate Name(s) benzyl (1S)-2-{[1-(hydroxymethyl)-3-methylbutyl]amino}-1-methyl-2-oxoethylcarbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26N2O4
InChI InChI=1S/C17H26N2O4/c1-12(2)9-15(10-20)19-16(21)13(3)18-17(22)23-11-14-7-5-4-6-8-14/h4-8,12-13,15,20H,9-11H2,1-3H3,(H,18,22)(H,19,21)/t13-,15?/m0/s1
InChIKey VPYOOUJOXZZONW-CFMCSPIPSA-N
Molecular Weight 322.405 g/mol
SMILES N(C([C@@](NC(=O)OCc1ccccc1)(C)[H])=O)C(CO)CC(C)C
SPLASH splash10-0006-9000000000-bf14c20efb67eec22f1c
Source of Spectrum U-1996-343-8
Wiley ID 768194