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5-[(4-Bromophenyl)hydrazinylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

View entire compound with spectra: 2 NMR, and 1 MS (GC)

5-[(4-Bromophenyl)hydrazinylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
SpectraBase Compound ID HMN3XtnCBvX
InChI InChI=1S/C22H15BrN4O2S/c23-15-11-13-16(14-12-15)24-25-19-20(28)26(17-7-3-1-4-8-17)22(30)27(21(19)29)18-9-5-2-6-10-18/h1-14,24H
InChIKey YDKBBAHEBMMNOJ-UHFFFAOYSA-N
Mol Weight 479.35 g/mol
Molecular Formula C22H15BrN4O2S
Exact Mass 478.00991 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FWOCW1yBg0L
Name 5-[(4-Bromophenyl)hydrazinylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 478.009909911 u
Formula C22H15BrN4O2S
InChI InChI=1S/C22H15BrN4O2S/c23-15-11-13-16(14-12-15)24-25-19-20(28)26(17-7-3-1-4-8-17)22(30)27(21(19)29)18-9-5-2-6-10-18/h1-14,24H
InChIKey YDKBBAHEBMMNOJ-UHFFFAOYSA-N
Molecular Weight 479.352 g/mol
SMILES C1(N(C(=O)C(C(N1C1=CC=CC=C1)=O)=NNC1=CC=C(C=C1)Br)C1=CC=CC=C1)=S