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3,6-DIMETHYL-2,5-DIPHENYL-1H-1,4-DIAZEPINE-7(6H)-THIONE;MAJOR-ISOMER
SpectraBase Compound ID FUQiV49VSMD
InChI InChI=1S/C19H18N2S/c1-13-17(15-9-5-3-6-10-15)20-14(2)18(21-19(13)22)16-11-7-4-8-12-16/h3-13H,1-2H3,(H,21,22)/t13-/m0/s1
InChIKey KPNGPCJADYPWJW-ZDUSSCGKSA-N
Mol Weight 306.43 g/mol
Molecular Formula C19H18N2S
Exact Mass 306.11907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3XPlN8vc4TU
Name 3,6-DIMETHYL-2,5-DIPHENYL-1H-1,4-DIAZEPINE-7(6H)-THIONE;MINOR-ISOMER
Compound Number 8A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H18N2S
InChI InChI=1S/C19H18N2S/c1-13-17(15-9-5-3-6-10-15)20-14(2)18(21-19(13)22)16-11-7-4-8-12-16/h3-13H,1-2H3,(H,21,22)/t13-/m0/s1
InChIKey KPNGPCJADYPWJW-ZDUSSCGKSA-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 306.425 g/mol
Solvent TOLUENE-D8
Source File Reference UWMR288