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(Z)-9-(Trifluoromethyl)-2,3,4,5-tetrahydrobenzo[h][1,2]thiazonine 1,1-dioxide
SpectraBase Compound ID 5v94OOUMsru
InChI InChI=1S/C12H12F3NO2S/c13-12(14,15)10-5-6-11-9(8-10)4-2-1-3-7-16-19(11,17)18/h2,4-6,8,16H,1,3,7H2/b4-2-
InChIKey RVHJTDJTUZTRJV-RQOWECAXSA-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 83Ikx2jnOWx
Name (Z)-9-(Trifluoromethyl)-2,3,4,5-tetrahydrobenzo[h][1,2]thiazonine 1,1-dioxide
Appearance Brownish solid
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Exact Mass 291.054084291 u
Formula C12H12F3NO2S
InChI InChI=1S/C12H12F3NO2S/c13-12(14,15)10-5-6-11-9(8-10)4-2-1-3-7-16-19(11,17)18/h2,4-6,8,16H,1,3,7H2/b4-2-
InChIKey RVHJTDJTUZTRJV-RQOWECAXSA-N
Instrument Name Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/chem.202202267
Molecular Weight 291.288 g/mol
Quality 95
Reported Formula C12H12NO2SF3
SMILES N1CCC\C=C/C2=C(S1(=O)=O)C=CC(=C2)C(F)(F)F
SPLASH splash10-004i-0950000000-bc66ab58a01b1891c8be
Source of Spectrum QE-28-SM17-1b (DOI: 10.1002/chem.202202267)
Wiley ID 1902400