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(ENDO)-METHYL-(5R*,6S*)-2-[(2-METHOXYCARBONYLETHYL)-METHYLAMINO]-5-(4-METHYLPHENYL)-4,5,6,7-TETRAHYDROBENZOTHIAZOLE-6-CARBOXYLATE

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(ENDO)-METHYL-(5R*,6S*)-2-[(2-METHOXYCARBONYLETHYL)-METHYLAMINO]-5-(4-METHYLPHENYL)-4,5,6,7-TETRAHYDROBENZOTHIAZOLE-6-CARBOXYLATE
SpectraBase Compound ID 3FwCjJ9sJnQ
InChI InChI=1S/C21H26N2O4S/c1-13-5-7-14(8-6-13)15-11-17-18(12-16(15)20(25)27-4)28-21(22-17)23(2)10-9-19(24)26-3/h5-8,15-16H,9-12H2,1-4H3/t15-,16-/m0/s1
InChIKey WWDSGAUQMCECHI-HOTGVXAUSA-N
Mol Weight 402.51 g/mol
Molecular Formula C21H26N2O4S
Exact Mass 402.161328 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EZmtGL6sJwE
Name (ENDO)-METHYL-(5R*,6S*)-2-[(2-METHOXYCARBONYLETHYL)-METHYLAMINO]-5-(4-METHYLPHENYL)-4,5,6,7-TETRAHYDROBENZOTHIAZOLE-6-CARBOXYLATE
Compound Number 8B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26N2O4S
InChI InChI=1S/C21H26N2O4S/c1-13-5-7-14(8-6-13)15-11-17-18(12-16(15)20(25)27-4)28-21(22-17)23(2)10-9-19(24)26-3/h5-8,15-16H,9-12H2,1-4H3/t15-,16-/m0/s1
InChIKey WWDSGAUQMCECHI-HOTGVXAUSA-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 402.508 g/mol
Solvent CDCl3
Source File Reference UWBT18284