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3,6-DIMETHYL-2,5-DI-PARA-TOLYL-1H-1,4-DIAZEPINE-7(6H)-THIONE;MAJOR-ISOMER
SpectraBase Compound ID I1CofP9el7l
InChI InChI=1S/C21H22N2S/c1-13-5-9-17(10-6-13)19-15(3)21(24)23-20(16(4)22-19)18-11-7-14(2)8-12-18/h5-12,15H,1-4H3,(H,23,24)
InChIKey DPBJTXPZRKQNTD-UHFFFAOYSA-N
Mol Weight 334.48 g/mol
Molecular Formula C21H22N2S
Exact Mass 334.15037 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4IeWGUyHdFU
Name 3,6-DIMETHYL-2,5-DI-PARA-TOLYL-1H-1,4-DIAZEPINE-7(6H)-THIONE;MAJOR-ISOMER
Compound Number 8D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22N2S
InChI InChI=1S/C21H22N2S/c1-13-5-9-17(10-6-13)19-15(3)21(24)23-20(16(4)22-19)18-11-7-14(2)8-12-18/h5-12,15H,1-4H3,(H,23,24)
InChIKey DPBJTXPZRKQNTD-UHFFFAOYSA-N
Literature Reference Author J.BARLUENGA,R.P.CARLON,J.GONZALEZ,J.JOGLAR,F.L.ORTIZ,S.FUSTE RO
Literature Reference Citation BULL.SOC.CHIM.FR.,129,566(1992)
Molecular Weight 334.479 g/mol
Solvent CDCl3
Source File Reference UWMR293