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3-(3,5-Dimethylphenyl)-1-imino-1H-1.lambda.4-benzo[d][1,3,2]dithiazole 1,3-dioxide
SpectraBase Compound ID 5Z6n4wTD2YT
InChI InChI=1S/C14H14N2O2S2/c1-10-7-11(2)9-12(8-10)19(17)13-5-3-4-6-14(13)20(15,18)16-19/h3-9,15H,1-2H3
InChIKey KDQBZHOCSYCUFO-UHFFFAOYSA-N
Mol Weight 306.4 g/mol
Molecular Formula C14H14N2O2S2
Exact Mass 306.04967 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BDdBt15WHrs
Name 3-(3,5-Dimethylphenyl)-1-imino-1H-1.lambda.4-benzo[d][1,3,2]dithiazole 1,3-dioxide
Appearance Yellow solid
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Exact Mass 306.049670045 u
Formula C14H14N2O2S2
InChI InChI=1S/C14H14N2O2S2/c1-10-7-11(2)9-12(8-10)19(17)13-5-3-4-6-14(13)20(15,18)16-19/h3-9,15H,1-2H3
InChIKey KDQBZHOCSYCUFO-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202201408
Quality 240
Reported Formula C14H14O2N2S2
SMILES N=S1(N=S(C2=CC(=CC(=C2)C)C)(C2=C1C=CC=C2)=O)=O
SPLASH splash10-0563-9683000000-dce781f0357d290f5b31
Sample Comments dr = 1.0:1.5
Source of Spectrum ASC-365-SM25-3f (DOI: 10.1002/adsc.202201408)
Wiley ID 1902713