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1-Phenyl-5-(trifluoromethyl)benzo[d][1,3,2]dithiazole 1-oxide
SpectraBase Compound ID 5elVQk5o1u
InChI InChI=1S/C13H8F3NOS2/c14-13(15,16)9-6-7-12-11(8-9)19-17-20(12,18)10-4-2-1-3-5-10/h1-8H
InChIKey OFVOOGBTVXSNQX-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 CN4iBfZdSwY
Name 1-Phenyl-5-(trifluoromethyl)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)9-6-7-12-11(8-9)19-17-20(12,18)10-4-2-1-3-5-10/h1-8H
InChIKey OFVOOGBTVXSNQX-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202201408
Molecular Weight 315.328 g/mol
Quality 343
Reported Formula C13H8ONF3S2
SMILES C1(S2(=NSC3=C2C=CC(=C3)C(F)(F)F)=O)=CC=CC=C1
SPLASH splash10-014i-3169000000-fba58a9fa2be00d93830
Source of Spectrum ASC-365-SM21-2u (DOI: 10.1002/adsc.202201408)
Wiley ID 1902703