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5,7-DIMETHYL-4-(4-METHOXYPHENYL)-6-PHENYL-4,5,6,7-TETRAHYDRO-3-THIA-1,2,5-TRIAZAINDENE
SpectraBase Compound ID I1oWgRh93Mh
InChI InChI=1S/C20H21N3OS/c1-13-17-20(25-22-21-17)19(15-9-11-16(24-3)12-10-15)23(2)18(13)14-7-5-4-6-8-14/h4-13,18-19H,1-3H3/t13-,18-,19-/m0/s1
InChIKey PEKXMYHLVMMWBB-AGRHKRQWSA-N
Mol Weight 351.47 g/mol
Molecular Formula C20H21N3OS
Exact Mass 351.140533 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G2J6KgmKycJ
Name 5,7-DIMETHYL-4-(4-METHOXYPHENYL)-6-PHENYL-4,5,6,7-TETRAHYDRO-3-THIA-1,2,5-TRIAZAINDENE
Compound Number 9B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H21N3OS
InChI InChI=1S/C20H21N3OS/c1-13-17-20(25-22-21-17)19(15-9-11-16(24-3)12-10-15)23(2)18(13)14-7-5-4-6-8-14/h4-13,18-19H,1-3H3/t13-,18-,19-/m0/s1
InChIKey PEKXMYHLVMMWBB-AGRHKRQWSA-N
Literature Reference Author V.PADMAVATHI,T.V.R.REDDY,K.A.REDDY,D.B.REDDY
Literature Reference Citation J.HETCYCL.CHEM.,40,149(2003)
Literature Reference DOI 10.1002/jhet.5570400120
Molecular Weight 351.466 g/mol
Solvent CDCl3
Source File Reference UWMS22343