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(Z)-11-(Trifluoromethyl)-2,3,4,5-tetrahydrobenzo[h][1,2]thiazonine 1,1-dioxide
SpectraBase Compound ID ACUX0XziUgO
InChI InChI=1S/C12H12F3NO2S/c13-12(14,15)10-7-4-6-9-5-2-1-3-8-16-19(17,18)11(9)10/h2,4-7,16H,1,3,8H2/b5-2-
InChIKey QTXYJUPWMKOJET-DJWKRKHSSA-N
Mol Weight 291.29 g/mol
Molecular Formula C12H12F3NO2S
Exact Mass 291.054084 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 12x2hkth4e5
Name (Z)-11-(Trifluoromethyl)-2,3,4,5-tetrahydrobenzo[h][1,2]thiazonine 1,1-dioxide
Appearance White solid
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Exact Mass 291.054084291 u
Formula C12H12F3NO2S
InChI InChI=1S/C12H12F3NO2S/c13-12(14,15)10-7-4-6-9-5-2-1-3-8-16-19(17,18)11(9)10/h2,4-7,16H,1,3,8H2/b5-2-
InChIKey QTXYJUPWMKOJET-DJWKRKHSSA-N
Instrument Name Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/chem.202202267
Molecular Weight 291.288 g/mol
Quality 87
Reported Formula C12H12NO2SF3
SMILES N1CCC\C=C/C2=C(S1(=O)=O)C(=CC=C2)C(F)(F)F
SPLASH splash10-004i-0940000000-19463091392b963a1da7
Source of Spectrum QE-28-SM21-1h (DOI: 10.1002/chem.202202267)
Wiley ID 1902405