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DIMETHYL-(5R*,6R*,7R*)-2-METHYLAMINO-5-(4-METHYLPHENYL)-4,5,6,7-TETRAHYDROBENZOTHIAZOLE-6,7-DICARBOXYLATE
SpectraBase Compound ID 57OJ0aOdnjX
InChI InChI=1S/C19H22N2O4S/c1-10-5-7-11(8-6-10)12-9-13-16(26-19(20-2)21-13)15(18(23)25-4)14(12)17(22)24-3/h5-8,12,14-15H,9H2,1-4H3,(H,20,21)/t12-,14+,15+/m0/s1
InChIKey CRXRHIUSAHLEFS-NWANDNLSSA-N
Mol Weight 374.46 g/mol
Molecular Formula C19H22N2O4S
Exact Mass 374.130028 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Od4ctPWKfJ
Name DIMETHYL-(5R*,6R*,7R*)-2-METHYLAMINO-5-(4-METHYLPHENYL)-4,5,6,7-TETRAHYDROBENZOTHIAZOLE-6,7-DICARBOXYLATE
Compound Number 7B''
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H22N2O4S
InChI InChI=1S/C19H22N2O4S/c1-10-5-7-11(8-6-10)12-9-13-16(26-19(20-2)21-13)15(18(23)25-4)14(12)17(22)24-3/h5-8,12,14-15H,9H2,1-4H3,(H,20,21)/t12-,14+,15+/m0/s1
InChIKey CRXRHIUSAHLEFS-NWANDNLSSA-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 374.455 g/mol
Solvent CDCl3
Source File Reference UWBT18280