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2,5-bis(4-bromophenyl)-1-(4-bromophenyl)imino-1,2,5-thiadiazolidine-3,4-dione
SpectraBase Compound ID LRbkj7LXwug
InChI InChI=1S/C20H12Br3N3O2S/c21-13-1-7-16(8-2-13)24-29-25(17-9-3-14(22)4-10-17)19(27)20(28)26(29)18-11-5-15(23)6-12-18/h1-12H
InChIKey AGNVHFKGVOBKMH-UHFFFAOYSA-N
Mol Weight 598.11 g/mol
Molecular Formula C20H12Br3N3O2S
Exact Mass 594.820037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1MNK2EoNea3
Name 2,5-bis(4-bromophenyl)-1-(4-bromophenyl)imino-1,2,5-thiadiazolidine-3,4-dione
Alternate Name(s) 2,5-bis(4-bromophenyl)-1-(4-bromophenyl)imino-1,2,5-thiadiazolidine-3,4-quinone
CAS Registry Number 57139-16-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H12Br3N3O2S
InChI InChI=1S/C20H12Br3N3O2S/c21-13-1-7-16(8-2-13)24-29-25(17-9-3-14(22)4-10-17)19(27)20(28)26(29)18-11-5-15(23)6-12-18/h1-12H
InChIKey AGNVHFKGVOBKMH-UHFFFAOYSA-N
Molecular Weight 598.107 g/mol
SMILES C1(N(S(N(C1=O)c1ccc(cc1)Br)=Nc1ccc(cc1)Br)c1ccc(cc1)Br)=O
SPLASH splash10-0f6t-0950000000-0b84cd12f873a0a0ec38
Source of Spectrum O-12-628-1
Wiley ID 1409719