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1-(4-Nitrophenyl)benzo[d][1,3,2]dithiazole 1-oxide
SpectraBase Compound ID KZmPKGdMngR
InChI InChI=1S/C12H8N2O3S2/c15-14(16)9-5-7-10(8-6-9)19(17)12-4-2-1-3-11(12)18-13-19/h1-8H
InChIKey GEVFXWNBWTVGND-UHFFFAOYSA-N
Mol Weight 292.33 g/mol
Molecular Formula C12H8N2O3S2
Exact Mass 291.997634 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1xSFPwbYDkP
Name 1-(4-Nitrophenyl)benzo[d][1,3,2]dithiazole 1-oxide
Appearance Red solid
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Exact Mass 291.997634471 u
Formula C12H8N2O3S2
InChI InChI=1S/C12H8N2O3S2/c15-14(16)9-5-7-10(8-6-9)19(17)12-4-2-1-3-11(12)18-13-19/h1-8H
InChIKey GEVFXWNBWTVGND-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202201408
Molecular Weight 292.327 g/mol
Quality 252
Reported Formula C12H8O3N2S2
SMILES C1(=CC=C(C=C1)[N+]([O-])=O)S1(=NSC2=C1C=CC=C2)=O
SPLASH splash10-0006-0090000000-f48dbee845fa21a6a904
Source of Spectrum ASC-365-SM17-2h (DOI: 10.1002/adsc.202201408)
Wiley ID 1902690