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4-Bromo-7-nitro-2,1,3-benzothiadiazole
SpectraBase Compound ID 7myDU9nhqsF
InChI InChI=1S/C6H2BrN3O2S/c7-3-1-2-4(10(11)12)6-5(3)8-13-9-6/h1-2H
InChIKey OYABVKXAVFCRHU-UHFFFAOYSA-N
Mol Weight 260.06 g/mol
Molecular Formula C6H2BrN3O2S
Exact Mass 258.90511 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jw3H1GoXXGU
Name 4-Bromo-7-nitro-2,1,3-benzothiadiazole
Appearance Pale yellow crystalline solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 258.905110488 u
Formula C6H2BrN3O2S
InChI InChI=1S/C6H2BrN3O2S/c7-3-1-2-4(10(11)12)6-5(3)8-13-9-6/h1-2H
InChIKey OYABVKXAVFCRHU-UHFFFAOYSA-N
Instrument Name Walter ITC Premier XE or Micromass LCT
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.201702289
Quality 411
SMILES C=1(Br)C2=NSN=C2C(=CC1)[N+](=O)[O-]
SPLASH splash10-001i-2290000000-c9defb112ce71029776e
Source of Spectrum QE-23-12590-4 (DOI: 10.1002/chem.201702289)
Wiley ID 1907837