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2-[benzenesulfonyl(prop-2-ynyl)amino]acetic acid methyl ester
SpectraBase Compound ID 81ifiU3jaEY
InChI InChI=1S/C12H13NO4S/c1-3-9-13(10-12(14)17-2)18(15,16)11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
InChIKey PELCHWFEXKIFQF-UHFFFAOYSA-N
Mol Weight 267.3 g/mol
Molecular Formula C12H13NO4S
Exact Mass 267.056529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BiSpvxTRwuh
Name 2-[benzenesulfonyl(prop-2-ynyl)amino]acetic acid methyl ester
Alternate Name(s) 2-[besyl(propargyl)amino]acetic acid methyl ester Methyl 2-[benzenesulfonyl(prop-2-ynyl)amino]acetate Methyl 2-[phenylsulfonyl(prop-2-ynyl)amino]ethanoate
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Formula C12H13NO4S
InChI InChI=1S/C12H13NO4S/c1-3-9-13(10-12(14)17-2)18(15,16)11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
InChIKey PELCHWFEXKIFQF-UHFFFAOYSA-N
Molecular Weight 267.299 g/mol
SMILES C(N(S(=O)(=O)c1ccccc1)CC#C)C(=O)OC
SPLASH splash10-004i-9630000000-2d5e77e078f6b3438a55
Source of Spectrum F-57-611-2
Wiley ID 1549331