For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

CIS-(+/-)-2-MERCAPTOMETHYL-4-(4-METHYLPHENYL)-4-OXOBUTANOIC-ACID-AMMONIUM-SALT;THIOLANE-FORM
SpectraBase Compound ID GnD6OZWAGRa
InChI InChI=1S/2C12H14O3S.2N/c2*1-8-2-4-10(5-3-8)12(15)6-9(7-16-12)11(13)14;;/h2*2-5,9,15H,6-7H2,1H3,(H,13,14);;/q;;2*+1/p-2/t2*9-,12+;;/m11../s1
InChIKey DNBKJEYLZYEFIO-QCPPTXNTSA-L
Mol Weight 502.6 g/mol
Molecular Formula C24H26N2O6S2
Exact Mass 502.123229 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LObWd2JWSH
Name CIS-(+/-)-2-MERCAPTOMETHYL-4-(4-METHYLPHENYL)-4-OXOBUTANOIC-ACID-AMMONIUM-SALT;THIOLANE-FORM
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H26N2O6S2
InChI InChI=1S/2C12H14O3S.2N/c2*1-8-2-4-10(5-3-8)12(15)6-9(7-16-12)11(13)14;;/h2*2-5,9,15H,6-7H2,1H3,(H,13,14);;/q;;2*+1/p-2/t2*9-,12+;;/m11../s1
InChIKey DNBKJEYLZYEFIO-QCPPTXNTSA-L
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 502.600 g/mol
Solvent CD3OD
Source File Reference UWVN28611