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1-(3,5-Dimethylphenyl)benzo[d][1,3,2]dithiazole 1-oxide
SpectraBase Compound ID 4TP4mDVF44
InChI InChI=1S/C14H13NOS2/c1-10-7-11(2)9-12(8-10)18(16)14-6-4-3-5-13(14)17-15-18/h3-9H,1-2H3
InChIKey BJJMRPLIILXCHT-UHFFFAOYSA-N
Mol Weight 275.38 g/mol
Molecular Formula C14H13NOS2
Exact Mass 275.043856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ArVDMfASg9Z
Name 1-(3,5-Dimethylphenyl)benzo[d][1,3,2]dithiazole 1-oxide
Appearance Yellow solid
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Exact Mass 275.043856390 u
Formula C14H13NOS2
InChI InChI=1S/C14H13NOS2/c1-10-7-11(2)9-12(8-10)18(16)14-6-4-3-5-13(14)17-15-18/h3-9H,1-2H3
InChIKey BJJMRPLIILXCHT-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202201408
Quality 270
Reported Formula C14H13ONS2
SMILES C1(=CC(=CC(=C1)C)C)S1(=NSC2=C1C=CC=C2)=O
SPLASH splash10-004i-0190000000-229cea06812fa2ff5a18
Source of Spectrum ASC-365-SM18-2l (DOI: 10.1002/adsc.202201408)
Wiley ID 1902694