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N-Tosyl-2(S)-benzyl-L-.beta.-homoalanine
SpectraBase Compound ID LqcGnoFxBVR
InChI InChI=1S/C18H21NO4S/c1-13-8-10-16(11-9-13)24(22,23)19-14(2)17(18(20)21)12-15-6-4-3-5-7-15/h3-11,14,17,19H,12H2,1-2H3,(H,20,21)/t14-,17+/m1/s1
InChIKey DUHCHAVSCZDNMM-PBHICJAKSA-N
Mol Weight 347.43 g/mol
Molecular Formula C18H21NO4S
Exact Mass 347.119129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5KzRNYXl0AK
Name N-Tosyl-2(S)-benzyl-L-.beta.-homoalanine
Alternate Name(s) (2S,3R)-2-benzyl-3-{[(4-methylphenyl)sulfonyl]amino}butanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21NO4S
InChI InChI=1S/C18H21NO4S/c1-13-8-10-16(11-9-13)24(22,23)19-14(2)17(18(20)21)12-15-6-4-3-5-7-15/h3-11,14,17,19H,12H2,1-2H3,(H,20,21)/t14-,17+/m1/s1
InChIKey DUHCHAVSCZDNMM-PBHICJAKSA-N
Molecular Weight 347.429 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)[C@@]([C@@](C(=O)O)(Cc1ccccc1)[H])(C)[H]
SPLASH splash10-0007-9804000000-d12eb7667a55e8eb9d82
Source of Spectrum QC-10-4558-0
Wiley ID 871769