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1-[4-(tert-Butyl)phenyl]benzo[d][1,3,2]dithiazole 1-oxide
SpectraBase Compound ID 88SxUpflHdi
InChI InChI=1S/C16H17NOS2/c1-16(2,3)12-8-10-13(11-9-12)20(18)15-7-5-4-6-14(15)19-17-20/h4-11H,1-3H3
InChIKey CRWIBUGLSYHTCY-UHFFFAOYSA-N
Mol Weight 303.44 g/mol
Molecular Formula C16H17NOS2
Exact Mass 303.075157 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G8fl6j29KK2
Name 1-[4-(tert-Butyl)phenyl]benzo[d][1,3,2]dithiazole 1-oxide
Appearance Yellow solid
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Exact Mass 303.075156518 u
Formula C16H17NOS2
InChI InChI=1S/C16H17NOS2/c1-16(2,3)12-8-10-13(11-9-12)20(18)15-7-5-4-6-14(15)19-17-20/h4-11H,1-3H3
InChIKey CRWIBUGLSYHTCY-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202201408
Molecular Weight 303.438 g/mol
Quality 416
Reported Formula C16H17ONS2
SMILES C1(=CC=C(C=C1)C(C)(C)C)S1(=NSC2=C1C=CC=C2)=O
SPLASH splash10-0udi-2239000000-4af26a66e070bc93c970
Source of Spectrum ASC-365-SM15-2c (DOI: 10.1002/adsc.202201408)
Wiley ID 1902685