John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=HB6Hztvityj SpectraBase Spectrum ID=Bihp9wDqj3D

(accessed ).
(2S)-N-PARA-TOLYLSULFONYL-2-(PROP-2-YNYL)-GLYCINE
SpectraBase Compound ID HB6Hztvityj
InChI InChI=1S/C12H13NO4S/c1-3-4-11(12(14)15)13-18(16,17)10-7-5-9(2)6-8-10/h1,5-8,11,13H,4H2,2H3,(H,14,15)/t11-/m1/s1
InChIKey CPOLTFAZVSPDCL-LLVKDONJSA-N
Mol Weight 267.3 g/mol
Molecular Formula C12H13NO4S
Exact Mass 267.05653 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bihp9wDqj3D
Name (2S)-N-PARA-TOLYLSULFONYL-2-(PROP-2-YNYL)-GLYCINE
Compound Number 18(R=H)
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Formula C12H13NO4S
InChI InChI=1S/C12H13NO4S/c1-3-4-11(12(14)15)13-18(16,17)10-7-5-9(2)6-8-10/h1,5-8,11,13H,4H2,2H3,(H,14,15)/t11-/m1/s1
InChIKey CPOLTFAZVSPDCL-LLVKDONJSA-N
Literature Reference Author N.J.CHURCH,D.W.YOUNG
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1475(1998)
Literature Reference DOI 10.1039/a800579f
Molecular Weight 267.300 g/mol
Solvent CDCl3
Source File Reference UWBS725
SpectraBase Batch ID ByUvLALnhAg