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Methyl N-[1-(Methylthio)-2-nitroethenyl]-L-alaninate
SpectraBase Compound ID LSP8ZXwhgZH
InChI InChI=1S/C7H12N2O4S/c1-5(7(10)13-2)8-6(14-3)4-9(11)12/h4-5,8H,1-3H3/b6-4-/t5-/m0/s1
InChIKey BKTKNFSEWGNHFJ-YIWIKUPCSA-N
Mol Weight 220.24 g/mol
Molecular Formula C7H12N2O4S
Exact Mass 220.051778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G3eLtaZHyYV
Name Methyl N-[1-(Methylthio)-2-nitroethenyl]-L-alaninate
Comments Less than 3 mono-isotopic peaks
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Formula C7H12N2O4S
InChI InChI=1S/C7H12N2O4S/c1-5(7(10)13-2)8-6(14-3)4-9(11)12/h4-5,8H,1-3H3/b6-4-/t5-/m0/s1
InChIKey BKTKNFSEWGNHFJ-YIWIKUPCSA-N
Molecular Weight 220.243 g/mol
SMILES N(\C(=C\N(=O)=O)SC)[C@](C(=O)OC)(C)[H]
SPLASH splash10-00di-9020000000-97ba8122e33dd3456508
Source of Spectrum F-49-2107-8
Synonyms methyl (2S)-2-{[(Z)-1-(methylsulfanyl)-2-nitroethenyl]amino}propanoate
Wiley ID 1219227