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2-[(2'-Nitrobenzyl)sulfanyl]-benzohtiazole
SpectraBase Compound ID K2bGg8BlnDL
InChI InChI=1S/C14H10N2O2S2/c17-16(18)12-7-3-1-5-10(12)9-19-14-15-11-6-2-4-8-13(11)20-14/h1-8H,9H2
InChIKey QMXKSFKRFXVVNW-UHFFFAOYSA-N
Mol Weight 302.37 g/mol
Molecular Formula C14H10N2O2S2
Exact Mass 302.01837 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CjhQxNzU1Bl
Name 2-[(2'-Nitrobenzyl)sulfanyl]-benzohtiazole
Alternate Name(s) 2-[(2-nitrophenyl)methylthio]-1,3-benzothiazole 2-[(2-nitrophenyl)methylsulfanyl]-1,3-benzothiazole
Comments Removed - expert review: contamination (CDCl3); A corrected record has been addded having SpectrumID: 1821351
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Formula C14H10N2O2S2
InChI InChI=1S/C14H10N2O2S2/c17-16(18)12-7-3-1-5-10(12)9-19-14-15-11-6-2-4-8-13(11)20-14/h1-8H,9H2
InChIKey QMXKSFKRFXVVNW-UHFFFAOYSA-N
Molecular Weight 302.366 g/mol
SMILES c1(nc2ccccc2s1)SCc1c(N(=O)=O)cccc1
SPLASH splash10-0159-9711000000-99682117239298ae53c9
Source of Spectrum AJ-42-155-3
Wiley ID 1567811