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N-Tosyl-2(S)-methyl-L-.beta.-homoalanine
SpectraBase Compound ID Vwl6XDlNUB
InChI InChI=1S/C12H17NO4S/c1-8-4-6-11(7-5-8)18(16,17)13-10(3)9(2)12(14)15/h4-7,9-10,13H,1-3H3,(H,14,15)/t9-,10+/m0/s1
InChIKey GPTAOHCNSCTGBR-VHSXEESVSA-N
Mol Weight 271.33 g/mol
Molecular Formula C12H17NO4S
Exact Mass 271.087829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jq32gpxAegO
Name N-Tosyl-2(S)-methyl-L-.beta.-homoalanine
Alternate Name(s) (2S,3R)-2-methyl-3-{[(4-methylphenyl)sulfonyl]amino}butanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO4S
InChI InChI=1S/C12H17NO4S/c1-8-4-6-11(7-5-8)18(16,17)13-10(3)9(2)12(14)15/h4-7,9-10,13H,1-3H3,(H,14,15)/t9-,10+/m0/s1
InChIKey GPTAOHCNSCTGBR-VHSXEESVSA-N
Molecular Weight 271.331 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)[C@@]([C@@](C(=O)O)(C)[H])(C)[H]
SPLASH splash10-052g-6900000000-7196106f7535ce3f06e0
Source of Spectrum QC-10-4557-0
Wiley ID 871770