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5-Methoxy-1-phenylbenzo[d][1,3,2]dithiazole 1-oxide
SpectraBase Compound ID BPmKMnoSqk1
InChI InChI=1S/C13H11NO2S2/c1-16-10-7-8-13-12(9-10)17-14-18(13,15)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey PONHSYRNSHSMSX-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 CSN59g1LT4j
Name 5-Methoxy-1-phenylbenzo[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/c1-16-10-7-8-13-12(9-10)17-14-18(13,15)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey PONHSYRNSHSMSX-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202201408
Quality 252
Reported Formula C13H11O2NS2
SMILES C1(S2(=NSC3=C2C=CC(=C3)OC)=O)=CC=CC=C1
SPLASH splash10-004i-0090000000-28f9a4cb0d596f0a3c59
Source of Spectrum ASC-365-SM20-2r (DOI: 10.1002/adsc.202201408)
Wiley ID 1902700