John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=AuVCZBkf9YP SpectraBase Spectrum ID=2bUsqt6tIiS

(accessed ).
DIMETHYL-(5R*,6R*,7R*)-2-AMINO-5-(4-METHYLPHENYL)-4,5,6,7-TETRAHYDROBENZOTHIAZOLE-6,7-DICARBOXYLATE
SpectraBase Compound ID AuVCZBkf9YP
InChI InChI=1S/C18H20N2O4S/c1-9-4-6-10(7-5-9)11-8-12-15(25-18(19)20-12)14(17(22)24-3)13(11)16(21)23-2/h4-7,11,13-14H,8H2,1-3H3,(H2,19,20)/t11-,13+,14+/m0/s1
InChIKey BADZMBUTLMRNKM-IACUBPJLSA-N
Mol Weight 360.43 g/mol
Molecular Formula C18H20N2O4S
Exact Mass 360.114379 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2bUsqt6tIiS
Name DIMETHYL-(5R*,6R*,7R*)-2-AMINO-5-(4-METHYLPHENYL)-4,5,6,7-TETRAHYDROBENZOTHIAZOLE-6,7-DICARBOXYLATE
Compound Number 7A''
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H20N2O4S
InChI InChI=1S/C18H20N2O4S/c1-9-4-6-10(7-5-9)11-8-12-15(25-18(19)20-12)14(17(22)24-3)13(11)16(21)23-2/h4-7,11,13-14H,8H2,1-3H3,(H2,19,20)/t11-,13+,14+/m0/s1
InChIKey BADZMBUTLMRNKM-IACUBPJLSA-N
Literature Reference Author M.ALAJARIN,J.CABRERA,P.SANCHEZ-ANDRADA,R.A.ORENES,A.PASTOR
Literature Reference Citation EUR.J.ORG.CHEM.,2013,474(2013)
Literature Reference DOI 10.1002/ejoc.201201185
Molecular Weight 360.428 g/mol
Solvent CDCl3
Source File Reference UWBT18279
SpectraBase Batch ID JRgE4ZXPRc2