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2-(4-Nitrophenyl)benzothiazole
SpectraBase Compound ID 7IE8MgHDnPv
InChI InChI=1S/C13H8N2O2S/c16-15(17)10-7-5-9(6-8-10)13-14-11-3-1-2-4-12(11)18-13/h1-8H
InChIKey KEJBDGQLLLLBGE-UHFFFAOYSA-N
Mol Weight 256.28 g/mol
Molecular Formula C13H8N2O2S
Exact Mass 256.030649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BuL2TAUOQjR
Name 2-(4-Nitrophenyl)benzothiazole
Comments Removed - expert review: contamination (sulfur))
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Formula C13H8N2O2S
InChI InChI=1S/C13H8N2O2S/c16-15(17)10-7-5-9(6-8-10)13-14-11-3-1-2-4-12(11)18-13/h1-8H
InChIKey KEJBDGQLLLLBGE-UHFFFAOYSA-N
Molecular Weight 256.279 g/mol
SMILES c1(sc2c(n1)cccc2)-c1ccc(cc1)N(=O)=O
SPLASH splash10-0a4i-9210000000-b2eac4125a8e890acb9d
Source of Spectrum QF-49-1860-4
Synonyms 2-(4-nitrophenyl)-1,3-benzothiazole 2-(4-Nitrophenyl)benzo[d]thiazole
Wiley ID 1547948