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1-Chloro-3,3-bis(trifluoromethyl)-5-methyl-1-(4-methylphenyl)-(3H)-2,1-benzoxathiole
SpectraBase Compound ID BebGxN1jMMr
InChI InChI=1S/C17H13ClF6OS/c1-10-3-6-12(7-4-10)26(18)14-8-5-11(2)9-13(14)15(25-26,16(19,20)21)17(22,23)24/h3-9H,1-2H3
InChIKey UONJCJSGIVHURX-UHFFFAOYSA-N
Mol Weight 414.79 g/mol
Molecular Formula C17H13ClF6OS
Exact Mass 414.027983 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 50LuEDS5ZBd
Name 1-Chloro-3,3-bis(trifluoromethyl)-5-methyl-1-(4-methylphenyl)-(3H)-2,1-benzoxathiole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13ClF6OS
InChI InChI=1S/C17H13ClF6OS/c1-10-3-6-12(7-4-10)26(18)14-8-5-11(2)9-13(14)15(25-26,16(19,20)21)17(22,23)24/h3-9H,1-2H3
InChIKey UONJCJSGIVHURX-UHFFFAOYSA-N
Molecular Weight 414.793 g/mol
SMILES C1(OS(c2c1cc(cc2)C)(c1ccc(cc1)C)Cl)(C(F)(F)F)C(F)(F)F
SPLASH splash10-0006-0294000000-4ef8b3e2b83459aabc8d
Source of Spectrum C-99-154-0
Synonyms 1-Chloro-5-methyl-1-(4-methylphenyl)-3,3-bis(trifluoromethyl)-1,3-dihydro-2,1lambda(4)-benzoxathiole
Wiley ID 1375177