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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

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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
SpectraBase Compound ID K5Dk4ZmX95L
InChI InChI=1S/C16H10ClF3S/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-/m0/s1
InChIKey KVRHLIFQAYDFHB-KKUMJFAQSA-N
Mol Weight 326.76 g/mol
Molecular Formula C16H10ClF3S
Exact Mass 326.014384 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HwAO76LXRk1
Name 16-Fluoro-16-(chlorodifluoromethyl)-)-15-thiatetracyclo[6.6.2.0.(2,7).0(9,14)]tetradeca-2,4,6,9,11,13-hexaene
CAS Registry Number 141087-98-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H10ClF3S
InChI InChI=1S/C16H10ClF3S/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-/m0/s1
InChIKey KVRHLIFQAYDFHB-KKUMJFAQSA-N
Molecular Weight 326.764 g/mol
SMILES [C@@]1([C@]2(c3ccccc3[C@](S1)(c1ccccc21)[H])[H])(C(F)(Cl)F)F
SPLASH splash10-004i-0902000000-b2a43d3f5bf49d982963
Source of Spectrum K-125-1892-9
Synonyms 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
Wiley ID 1324545