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(+/-)-4-AMINO-3-PHENYLTHIOPENT-2-ENEDIOIC-ACID
SpectraBase Compound ID JgHz7l9dOjJ
InChI InChI=1S/C11H11NO4S/c12-10(11(15)16)8(6-9(13)14)17-7-4-2-1-3-5-7/h1-6,10H,12H2,(H,13,14)(H,15,16)/b8-6+
InChIKey XPGABCWCGPLAGO-SOFGYWHQSA-N
Mol Weight 253.27 g/mol
Molecular Formula C11H11NO4S
Exact Mass 253.040879 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IB6aTSssK37
Name (+/-)-4-AMINO-3-PHENYLTHIOPENT-2-ENEDIOIC-ACID
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H11NO4S
InChI InChI=1S/C11H11NO4S/c12-10(11(15)16)8(6-9(13)14)17-7-4-2-1-3-5-7/h1-6,10H,12H2,(H,13,14)(H,15,16)/b8-6+
InChIKey XPGABCWCGPLAGO-SOFGYWHQSA-N
Literature Reference Author R.D.ALLAN,R.K.DUKE,T.W.HAMBLEY,G.A.R.JOHNSTON,K.N.MEWETT,N.Q UICKERT,H.W.TRAN
Literature Reference Citation AUSTR.J.CHEM.,49,785(1996)
Molecular Weight 253.273 g/mol
Solvent D2O
Source File Reference UWRK2557