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3,6-DIETHYL-2,5-DIPHENYL-1H-1,4-DIAZEPINE-7(6H)-THIONE;MAJOR-ISOMER
SpectraBase Compound ID H3vCrFEh6Ue
InChI InChI=1S/C21H22N2S/c1-3-17-19(15-11-7-5-8-12-15)22-18(4-2)20(23-21(17)24)16-13-9-6-10-14-16/h5-14,17H,3-4H2,1-2H3,(H,23,24)
InChIKey NPELHAYZDIOATF-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 9xtCQ0gDVha
Name 3,6-DIETHYL-2,5-DIPHENYL-1H-1,4-DIAZEPINE-7(6H)-THIONE;MINOR-ISOMER
Compound Number 8'B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22N2S
InChI InChI=1S/C21H22N2S/c1-3-17-19(15-11-7-5-8-12-15)22-18(4-2)20(23-21(17)24)16-13-9-6-10-14-16/h5-14,17H,3-4H2,1-2H3,(H,23,24)
InChIKey NPELHAYZDIOATF-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 DMSO-D6
Source File Reference UWMR290