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(+/-)-2-MERCAPTOMETHYL-4-(4-METHYLPHENYL)-4-OXOBUTANOIC-ACID-AMMONIUM-SALT;KETO-FORM

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(+/-)-2-MERCAPTOMETHYL-4-(4-METHYLPHENYL)-4-OXOBUTANOIC-ACID-AMMONIUM-SALT;KETO-FORM
SpectraBase Compound ID JQKO7lzmA0m
InChI InChI=1S/C12H14O3S.N/c1-8-2-4-9(5-3-8)11(13)6-10(7-16)12(14)15;/h2-5,10,16H,6-7H2,1H3,(H,14,15);/q;+1/p-1
InChIKey YYNDTSBTZOMBOJ-UHFFFAOYSA-M
Mol Weight 251.3 g/mol
Molecular Formula C12H13NO3S
Exact Mass 251.061614 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Y2HdvXsNrr
Name (+/-)-2-MERCAPTOMETHYL-4-(4-METHYLPHENYL)-4-OXOBUTANOIC-ACID-AMMONIUM-SALT;KETO-FORM
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13NO3S
InChI InChI=1S/C12H14O3S.N/c1-8-2-4-9(5-3-8)11(13)6-10(7-16)12(14)15;/h2-5,10,16H,6-7H2,1H3,(H,14,15);/q;+1/p-1
InChIKey YYNDTSBTZOMBOJ-UHFFFAOYSA-M
Literature Reference Author T.NOGUCHI,A.ONODERA,K.TOMISAWA,M.YAMASHITA,K.TAKESHITA,S.YOK OMORI
Literature Reference Citation BIOORG.MED.CHEM.,10,2713(2002)
Literature Reference DOI 10.1016/S0968-0896(02)00084-6
Molecular Weight 251.300 g/mol
Solvent CD3OD
Source File Reference UWVN28610