John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=3Uqc57D2yP6 SpectraBase Spectrum ID=2bwnTbiZqe2

(accessed ).
AZDYOGJACQDWNV-UHFFFAOYSA-N
SpectraBase Compound ID 3Uqc57D2yP6
InChI InChI=1S/C16H14N2O4S/c1-8-11(23-13(17)12(8)16(21)22-2)7-18-14(19)9-5-3-4-6-10(9)15(18)20/h3-6H,7,17H2,1-2H3
InChIKey AZDYOGJACQDWNV-UHFFFAOYSA-N
Mol Weight 330.36 g/mol
Molecular Formula C16H14N2O4S
Exact Mass 330.067429 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2bwnTbiZqe2
Name METHYL-2-AMINO-5-((1,3-DIHYDRO-1,3-DIOXO-2H-ISOINDOL-2-YL)-METHYL)-4-METHYLTHIOPHENE-3-CARBOXYLATE
Compound Number 10A
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H14N2O4S
InChI InChI=1S/C16H14N2O4S/c1-8-11(23-13(17)12(8)16(21)22-2)7-18-14(19)9-5-3-4-6-10(9)15(18)20/h3-6H,7,17H2,1-2H3
InChIKey AZDYOGJACQDWNV-UHFFFAOYSA-N
Literature Reference Author H.P.BUCHSTALLER,C.D.SIEBERT,R.H.LYSSY,I.FRANK,A.DURAN,R.GOTT SCHLICH,C.R.NOE
Literature Reference Citation MH.CHEM.,132,279(2001)
Literature Reference DOI 10.1007/s007060170137
Molecular Weight 330.358 g/mol
Solvent DMSO-D6
Source File Reference UWSI3730
SpectraBase Batch ID 8hAFC2SBWgs