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N-Tosyl-2(S)-methyl-L-.beta.-homoalanine methyl ester
SpectraBase Compound ID B4YkfPQpVTd
InChI InChI=1S/C13H19NO4S/c1-9-5-7-12(8-6-9)19(16,17)14-11(3)10(2)13(15)18-4/h5-8,10-11,14H,1-4H3/t10-,11+/m0/s1
InChIKey QPDUACRCNGEERP-WDEREUQCSA-N
Mol Weight 285.36 g/mol
Molecular Formula C13H19NO4S
Exact Mass 285.103479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 355yhhYXMW1
Name N-Tosyl-2(S)-methyl-L-.beta.-homoalanine methyl ester
Alternate Name(s) Methyl (2S,3R)-2-methyl-3-{[(4-methylphenyl)sulfonyl]amino}butanoate
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Formula C13H19NO4S
InChI InChI=1S/C13H19NO4S/c1-9-5-7-12(8-6-9)19(16,17)14-11(3)10(2)13(15)18-4/h5-8,10-11,14H,1-4H3/t10-,11+/m0/s1
InChIKey QPDUACRCNGEERP-WDEREUQCSA-N
Molecular Weight 285.358 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)[C@@]([C@@](C(=O)OC)(C)[H])(C)[H]
SPLASH splash10-052g-4910000000-ecfbabdd5a9e0c11615b
Source of Spectrum QC-10-4557-7
Wiley ID 871775