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(R*,S*)-ALPHA-(ACETYLAMINO)-5-METHYL-2-THIOPHENEPROPANOIC_ACID
SpectraBase Compound ID 844K7Fa9wUO
InChI InChI=1S/C10H13NO3S/c1-6-3-4-8(15-6)5-9(10(13)14)11-7(2)12/h3-4,9H,5H2,1-2H3,(H,11,12)(H,13,14)
InChIKey DBEUUIDTOJRHCR-UHFFFAOYSA-N
Mol Weight 227.28 g/mol
Molecular Formula C10H13NO3S
Exact Mass 227.061614 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IDjRLLvjBMC
Name (R*,S*)-ALPHA-(ACETYLAMINO)-5-METHYL-2-THIOPHENEPROPANOIC_ACID
Compound Number 4F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H13NO3S
InChI InChI=1S/C10H13NO3S/c1-6-3-4-8(15-6)5-9(10(13)14)11-7(2)12/h3-4,9H,5H2,1-2H3,(H,11,12)(H,13,14)
InChIKey DBEUUIDTOJRHCR-UHFFFAOYSA-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 227.278 g/mol
Solvent DMSO-D6
Source File Reference UWMZ709