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16-Fluoro-16-(chlorodifluoromethyl)-15-thiatetracyclo[6.6.2.0.(2,7).0(9,14)]tetradeca-2,4,6,9,11,13-hexaene-15,15-dioxide

View entire compound with spectra: 1 MS (GC)

16-Fluoro-16-(chlorodifluoromethyl)-15-thiatetracyclo[6.6.2.0.(2,7).0(9,14)]tetradeca-2,4,6,9,11,13-hexaene-15,15-dioxide
SpectraBase Compound ID 27NAn0mtXbj
InChI InChI=1S/C16H10ClF3O2S/c17-16(19,20)15(18)13-9-5-1-3-7-11(9)14(23(15,21)22)12-8-4-2-6-10(12)13/h1-8,13-14H
InChIKey NEOGTOYUAUENAN-UHFFFAOYSA-N
Mol Weight 358.76 g/mol
Molecular Formula C16H10ClF3O2S
Exact Mass 358.004213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FeMJQrhvxUJ
Name 16-Fluoro-16-(chlorodifluoromethyl)-15-thiatetracyclo[6.6.2.0.(2,7).0(9,14)]tetradeca-2,4,6,9,11,13-hexaene-15,15-dioxide
Alternate Name(s) 16-[chloro(difluoro)methyl]-16-fluoro-15-thiatetracyclo[6.6.2.0(2,7).0(9,14)]hexadeca-2,4,6,9,11,13-hexaene 15,15-dioxide
CAS Registry Number 141087-99-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H10ClF3O2S
InChI InChI=1S/C16H10ClF3O2S/c17-16(19,20)15(18)13-9-5-1-3-7-11(9)14(23(15,21)22)12-8-4-2-6-10(12)13/h1-8,13-14H
InChIKey NEOGTOYUAUENAN-UHFFFAOYSA-N
Molecular Weight 358.762 g/mol
SMILES C1(S(C2c3c(C1c1c2cccc1)cccc3)(=O)=O)(C(F)(F)Cl)F
SPLASH splash10-0a4i-0090000000-7f2d668b5fe0f7c26ba5
Source of Spectrum K-125-1893-12
Wiley ID 1346812