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1-(Pyridin-4-yl)benzo[d][1,3,2]dithiazole 1-oxide
SpectraBase Compound ID LgAudbNEkYU
InChI InChI=1S/C11H8N2OS2/c14-16(9-5-7-12-8-6-9)11-4-2-1-3-10(11)15-13-16/h1-8H
InChIKey OHBKJHDEJLZTMU-UHFFFAOYSA-N
Mol Weight 248.32 g/mol
Molecular Formula C11H8N2OS2
Exact Mass 248.007805 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BseZfJRJpfy
Name 1-(Pyridin-4-yl)benzo[d][1,3,2]dithiazole 1-oxide
Appearance Yellow solid
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Exact Mass 248.007805233 u
Formula C11H8N2OS2
InChI InChI=1S/C11H8N2OS2/c14-16(9-5-7-12-8-6-9)11-4-2-1-3-10(11)15-13-16/h1-8H
InChIKey OHBKJHDEJLZTMU-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202201408
Molecular Weight 248.318 g/mol
Quality 238
Reported Formula C11H8ON2S2
SMILES C1(S2(=NSC3=C2C=CC=C3)=O)=CC=NC=C1
SPLASH splash10-0f6t-3390000000-caed46836106097150ba
Source of Spectrum ASC-365-SM19-2p (DOI: 10.1002/adsc.202201408)
Wiley ID 1902698