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1-Ethyl-6-(trifluoromethyl)-3H-1.lambda.4-benzo[d]isothiazole 1-oxide
SpectraBase Compound ID Hzrj0hDDYFV
InChI InChI=1S/C10H10F3NOS/c1-2-16(15)9-5-8(10(11,12)13)4-3-7(9)6-14-16/h3-5H,2,6H2,1H3
InChIKey WQRMFXKQXRKKEX-UHFFFAOYSA-N
Mol Weight 249.25 g/mol
Molecular Formula C10H10F3NOS
Exact Mass 249.04352 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KSsirgnmpMe
Name 1-Ethyl-6-(trifluoromethyl)-3H-1.lambda.4-benzo[d]isothiazole 1-oxide
Appearance White solid
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Formula C10H10F3NOS
InChI InChI=1S/C10H10F3NOS/c1-2-16(15)9-5-8(10(11,12)13)4-3-7(9)6-14-16/h3-5H,2,6H2,1H3
InChIKey WQRMFXKQXRKKEX-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201804284
Molecular Weight 249.251 g/mol
Reported Formula C10H10F3NOS
SMILES C1=CC2=C(C=C1C(F)(F)F)S(=NC2)(CC)=O
SPLASH splash10-0ufr-0390000000-fbeddd3b4945115b6aa9
Source of Spectrum ACI-57-SM17-4f (DOI: 10.1002/anie.201804284)
Thin-Layer Chromatography 0.45 (EtOAc/MeOH, 10:1)
Wiley ID 1893369