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1-(4-Methoxyphenyl)benzo[d][1,3,2]dithiazole 1-oxide
SpectraBase Compound ID 8bWrscUhXpm
InChI InChI=1S/C13H11NO2S2/c1-16-10-6-8-11(9-7-10)18(15)13-5-3-2-4-12(13)17-14-18/h2-9H,1H3
InChIKey PKXIZUKARAZOIO-UHFFFAOYSA-N
Mol Weight 277.36 g/mol
Molecular Formula C13H11NO2S2
Exact Mass 277.023121 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FAVfqPwTCZ1
Name 1-(4-Methoxyphenyl)benzo[d][1,3,2]dithiazole 1-oxide
Appearance Yellow solid
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Exact Mass 277.023120944 u
Formula C13H11NO2S2
InChI InChI=1S/C13H11NO2S2/c1-16-10-6-8-11(9-7-10)18(15)13-5-3-2-4-12(13)17-14-18/h2-9H,1H3
InChIKey PKXIZUKARAZOIO-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202201408
Quality 338
Reported Formula C13H11O2NS2
SMILES C1(=CC=C(C=C1)OC)S1(=NSC2=C1C=CC=C2)=O
SPLASH splash10-004i-0190000000-82e112fc03519bfcfe79
Source of Spectrum ASC-365-SM15-2d (DOI: 10.1002/adsc.202201408)
Wiley ID 1902686