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4,7-Dibromo-5-nitro-2,1,3-benzothiadiazole

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

4,7-Dibromo-5-nitro-2,1,3-benzothiadiazole
SpectraBase Compound ID It8DVSngYvG
InChI InChI=1S/C6HBr2N3O2S/c7-2-1-3(11(12)13)4(8)6-5(2)9-14-10-6/h1H
InChIKey CBQXUYLNDCIZDX-UHFFFAOYSA-N
Mol Weight 338.96 g/mol
Molecular Formula C6HBr2N3O2S
Exact Mass 336.815623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ffbu8zWZas
Name 4,7-Dibromo-5-nitro-2,1,3-benzothiadiazole
Alternate Name(s) 2,1,3-Benzothiadiazole, 4,7-dibromo-5-nitro- 4,7-bis(bromanyl)-5-nitro-2,1,3-benzothiadiazole 4,7-Dibromo-5-nitro-piazthiole
CAS Registry Number 2274-65-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6HBr2N3O2S
InChI InChI=1S/C6HBr2N3O2S/c7-2-1-3(11(12)13)4(8)6-5(2)9-14-10-6/h1H
InChIKey CBQXUYLNDCIZDX-UHFFFAOYSA-N
Molecular Weight 338.961 g/mol
SMILES c1(c(c2nsnc2c(c1)Br)Br)N(=O)=O
SPLASH splash10-03ei-6983000000-8d6a1bc914fe5d3e866f
Wiley ID 1455505