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

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16-Fluoro-16-(bromodifluoromethyl)-)-15-thiatetracyclo[6.6.2.0.(2,7).0(9,14)]tetradeca-2,4,6,9,11,13-hexaene
SpectraBase Compound ID 5gnAV6K1GLw
InChI InChI=1S/C16H10BrF3S/c17-16(19,20)15(18)13-9-5-1-3-7-11(9)14(21-15)12-8-4-2-6-10(12)13/h1-8,13-14H/t13-,14+,15-/m1/s1
InChIKey WUSDFYZWZFKNPT-QLFBSQMISA-N
Mol Weight 371.22 g/mol
Molecular Formula C16H10BrF3S
Exact Mass 369.963869 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GRt4kA0USm5
Name 16-Fluoro-16-(bromodifluoromethyl)-)-15-thiatetracyclo[6.6.2.0.(2,7).0(9,14)]tetradeca-2,4,6,9,11,13-hexaene
CAS Registry Number 141062-60-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H10BrF3S
InChI InChI=1S/C16H10BrF3S/c17-16(19,20)15(18)13-9-5-1-3-7-11(9)14(21-15)12-8-4-2-6-10(12)13/h1-8,13-14H/t13-,14+,15-/m1/s1
InChIKey WUSDFYZWZFKNPT-QLFBSQMISA-N
Molecular Weight 371.215 g/mol
SMILES [C@]1([C@]2(c3ccccc3[C@@](S1)(c1ccccc21)[H])[H])(C(F)(Br)F)F
SPLASH splash10-004i-0902000000-1888dc9cb0a421422e56
Source of Spectrum K-125-1892-9
Synonyms 16-[bromo(difluoro)methyl]-16-fluoro-15-thiatetracyclo[6.6.2.0(2,7).0(9,14)]hexadeca-2,4,6,9,11,13-hexaene
Wiley ID 1353993