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(S)-ALPHA-(((1,1-DIMETHYL)-ETHOXYCARBONYL)-AMINO)-5-METHYL-2-THIOPHENEPROPANOIC_ACID
SpectraBase Compound ID HZNSYbSAX53
InChI InChI=1S/C13H19NO4S/c1-8-5-6-9(19-8)7-10(11(15)16)14-12(17)18-13(2,3)4/h5-6,10H,7H2,1-4H3,(H,14,17)(H,15,16)/t10-/m0/s1
InChIKey XVCIFAYGMAYCCF-JTQLQIEISA-N
Mol Weight 285.36 g/mol
Molecular Formula C13H19NO4S
Exact Mass 285.103479 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9rbo9oUjFBW
Name (S)-ALPHA-(((1,1-DIMETHYL)-ETHOXYCARBONYL)-AMINO)-5-METHYL-2-THIOPHENEPROPANOIC_ACID
Compound Number 6F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H19NO4S
InChI InChI=1S/C13H19NO4S/c1-8-5-6-9(19-8)7-10(11(15)16)14-12(17)18-13(2,3)4/h5-6,10H,7H2,1-4H3,(H,14,17)(H,15,16)/t10-/m0/s1
InChIKey XVCIFAYGMAYCCF-JTQLQIEISA-N
Literature Reference Author C.R.NOE,A.WEIGAND,S.PIRKER
Literature Reference Citation MH.CHEM.,127,1081(1996)
Literature Reference DOI 10.1007/BF00807581
Molecular Weight 285.358 g/mol
Solvent CDCl3
Source File Reference UWMZ713