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1-[4-(Trifluoromethyl)phenyl]benzo[d][1,3,2]dithiazole 1-oxide
SpectraBase Compound ID brzDZmD4Hy
InChI InChI=1S/C13H8F3NOS2/c14-13(15,16)9-5-7-10(8-6-9)20(18)12-4-2-1-3-11(12)19-17-20/h1-8H
InChIKey MUDQBQJPMPIQAO-UHFFFAOYSA-N
Mol Weight 315.33 g/mol
Molecular Formula C13H8F3NOS2
Exact Mass 314.999941 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3LxFuVkkzdK
Name 1-[4-(Trifluoromethyl)phenyl]benzo[d][1,3,2]dithiazole 1-oxide
Appearance Yellow solid
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Exact Mass 314.999940718 u
Formula C13H8F3NOS2
InChI InChI=1S/C13H8F3NOS2/c14-13(15,16)9-5-7-10(8-6-9)20(18)12-4-2-1-3-11(12)19-17-20/h1-8H
InChIKey MUDQBQJPMPIQAO-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202201408
Molecular Weight 315.328 g/mol
Quality 290
Reported Formula C13H8ONF3S2
SMILES C1(=CC=C(C=C1)C(F)(F)F)S1(=NSC2=C1C=CC=C2)=O
SPLASH splash10-014i-0119000000-418c8e2142edb8244224
Source of Spectrum ASC-365-SM16-2g (DOI: 10.1002/adsc.202201408)
Wiley ID 1902689