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(2S)-2-[allyl-(2-nitrophenyl)sulfonyl-amino]-3-hydroxy-propionic acid methyl ester
SpectraBase Compound ID GSCWDvo7Em1
InChI InChI=1S/C13H16N2O7S/c1-3-8-14(11(9-16)13(17)22-2)23(20,21)12-7-5-4-6-10(12)15(18)19/h3-7,11,16H,1,8-9H2,2H3/t11-/m0/s1
InChIKey ORKWSFHXMWMRSL-NSHDSACASA-N
Mol Weight 344.34 g/mol
Molecular Formula C13H16N2O7S
Exact Mass 344.067822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GHGj8B856O9
Name (2S)-2-[allyl-(2-nitrophenyl)sulfonyl-amino]-3-hydroxy-propionic acid methyl ester
Alternate Name(s) (2S)-3-hydroxy-2-[(2-nitrophenyl)sulfonyl-prop-2-enylamino]propanoic acid methyl ester Methyl (2S)-2-[(2-nitrophenyl)sulfonyl-prop-2-enyl-amino]-3-oxidanyl-propanoate Methyl (2S)-2-[allyl-(2-nitrophenyl)sulfonyl-amino]-3-hydroxy-propanoate Methyl (2S)-3-hydroxy-2-[(2-nitrophenyl)sulfonyl-prop-2-enylamino]propanoate
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Formula C13H16N2O7S
InChI InChI=1S/C13H16N2O7S/c1-3-8-14(11(9-16)13(17)22-2)23(20,21)12-7-5-4-6-10(12)15(18)19/h3-7,11,16H,1,8-9H2,2H3/t11-/m0/s1
InChIKey ORKWSFHXMWMRSL-NSHDSACASA-N
Molecular Weight 344.338 g/mol
SMILES OC[C@](N(S(c1c(N(=O)=O)cccc1)(=O)=O)CC=C)(C(=O)OC)[H]
SPLASH splash10-0006-9300000000-0c02a532d3648aa4f567
Source of Spectrum F-54-15797-0
Wiley ID 804283