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Methyl 4-(7-bromobenzo[c][1,2,5]thiadiazol-4-yl)benzoate
SpectraBase Compound ID HyUxHcQduZX
InChI InChI=1S/C14H9BrN2O2S/c1-19-14(18)9-4-2-8(3-5-9)10-6-7-11(15)13-12(10)16-20-17-13/h2-7H,1H3
InChIKey OXDRWQAHUMNJBI-UHFFFAOYSA-N
Mol Weight 349.2 g/mol
Molecular Formula C14H9BrN2O2S
Exact Mass 347.956812 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JWgzCj6mMHe
Name Methyl 4-(7-bromobenzo[c][1,2,5]thiadiazol-4-yl)benzoate
Appearance Pale yellow solid
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Formula C14H9BrN2O2S
InChI InChI=1S/C14H9BrN2O2S/c1-19-14(18)9-4-2-8(3-5-9)10-6-7-11(15)13-12(10)16-20-17-13/h2-7H,1H3
InChIKey OXDRWQAHUMNJBI-UHFFFAOYSA-N
Instrument Name Thermo TRACE
Ionization Type EI
Molecular Weight 349.202 g/mol
Reported Formula C14H9(79)BrN2O2S
SMILES c1cc(c2c(c1-c1ccc(cc1)C(OC)=O)nsn2)Br
SPLASH splash10-0gba-0039000000-65e149e22392a8a9a8a6
Source of Spectrum EP2190290A2
Thin-Layer Chromatography Rf = 0.3 (n-hexane/DCM, 6:4)
Wiley ID 1841878