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(Z)-2-(tert-Butyl)-11-(trifluoromethyl)-2,3,4,5-tetrahydrobenzo[h][1,2]thiazonine 1,1-dioxide
SpectraBase Compound ID EWDBJWvjLye
InChI InChI=1S/C16H20F3NO2S/c1-15(2,3)20-11-6-4-5-8-12-9-7-10-13(16(17,18)19)14(12)23(20,21)22/h5,7-10H,4,6,11H2,1-3H3/b8-5-
InChIKey VPPQYKKNRKNQTP-YVMONPNESA-N
Mol Weight 347.4 g/mol
Molecular Formula C16H20F3NO2S
Exact Mass 347.116685 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KvKu3woUjpI
Name (Z)-2-(tert-Butyl)-11-(trifluoromethyl)-2,3,4,5-tetrahydrobenzo[h][1,2]thiazonine 1,1-dioxide
Appearance Brownish solid
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Exact Mass 347.116684549 u
Formula C16H20F3NO2S
InChI InChI=1S/C16H20F3NO2S/c1-15(2,3)20-11-6-4-5-8-12-9-7-10-13(16(17,18)19)14(12)23(20,21)22/h5,7-10H,4,6,11H2,1-3H3/b8-5-
InChIKey VPPQYKKNRKNQTP-YVMONPNESA-N
Instrument Name Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/chem.202202267
Molecular Weight 347.396 g/mol
Quality 94
Reported Formula C16H20F3NO2S
SMILES C1N(S(C2=C(\C=C/CC1)C=CC=C2C(F)(F)F)(=O)=O)C(C)(C)C
SPLASH splash10-00fr-9601000000-13c71cd8c22a9d471d22
Source of Spectrum QE-28-SM20-SI-8h (DOI: 10.1002/chem.202202267)
Wiley ID 1902444