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1,3,4-Thiadiazole, 3-(2,4-dibromophenyl)-2,3-dihydro-2-[(4-nitrophenyl)methylene]-5-phenyl-
SpectraBase Compound ID 4aYKQ2S8n6Z
InChI InChI=1S/C21H13Br2N3O2S/c22-16-8-11-19(18(23)13-16)25-20(12-14-6-9-17(10-7-14)26(27)28)29-21(24-25)15-4-2-1-3-5-15/h1-13H/b20-12-
InChIKey JASGDILUYMGCMG-NDENLUEZSA-N
Mol Weight 531.22 g/mol
Molecular Formula C21H13Br2N3O2S
Exact Mass 528.909524 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D644Fw0RGfy
Name 1,3,4-Thiadiazole, 3-(2,4-dibromophenyl)-2,3-dihydro-2-[(4-nitrophenyl)methylene]-5-phenyl-
Alternate Name(s) (2Z)-3-(2,4-dibromophenyl)-2-(4-nitrobenzylidene)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole 2-(4-Nitrophenylmethylene)-3-(2,4-dibromophenyl)-5-phenyl-2H-1,3,4-thiadiazolene
CAS Registry Number 80746-23-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H13Br2N3O2S
InChI InChI=1S/C21H13Br2N3O2S/c22-16-8-11-19(18(23)13-16)25-20(12-14-6-9-17(10-7-14)26(27)28)29-21(24-25)15-4-2-1-3-5-15/h1-13H/b20-12-
InChIKey JASGDILUYMGCMG-NDENLUEZSA-N
Molecular Weight 531.222 g/mol
SMILES C=1(S\C(N(N1)c1c(cc(cc1)Br)Br)=C\c1ccc(N(=O)=O)cc1)c1ccccc1
SPLASH splash10-00di-0900050000-4578345bea46ead18c24
Source of Spectrum KC-1981-2950-0
Wiley ID 1403179