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5-Methyl-1-phenylbenzo[d][1,3,2]dithiazole 1-oxide
SpectraBase Compound ID HuCGLhBsQCK
InChI InChI=1S/C13H11NOS2/c1-10-7-8-13-12(9-10)16-14-17(13,15)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey GDDWDVUSFZVFGX-UHFFFAOYSA-N
Mol Weight 261.36 g/mol
Molecular Formula C13H11NOS2
Exact Mass 261.028206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID lFZ4pgzG9O
Name 5-Methyl-1-phenylbenzo[d][1,3,2]dithiazole 1-oxide
Appearance Yellow oil
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Exact Mass 261.028206325 u
Formula C13H11NOS2
InChI InChI=1S/C13H11NOS2/c1-10-7-8-13-12(9-10)16-14-17(13,15)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey GDDWDVUSFZVFGX-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202201408
Molecular Weight 261.357 g/mol
Quality 286
Reported Formula C13H11ONS2
SMILES C1(S2(=NSC3=C2C=CC(=C3)C)=O)=CC=CC=C1
SPLASH splash10-03di-0190000000-1eb6df34ac2091fb44be
Source of Spectrum ASC-365-SM20-2q (DOI: 10.1002/adsc.202201408)
Wiley ID 1902699