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1-(4-Bromophenyl)-2-[(4-trifluoromethanesulfonyloxy)phenyl]ethyne
SpectraBase Compound ID J8MRrnYTI06
InChI InChI=1S/C15H8BrF3O3S/c16-13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)22-23(20,21)15(17,18)19/h3-10H
InChIKey WYOAHEWNZUDZES-UHFFFAOYSA-N
Mol Weight 405.19 g/mol
Molecular Formula C15H8BrF3O3S
Exact Mass 403.932963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EXQLu1EOrzK
Name 1-(4-Bromophenyl)-2-[(4-trifluoromethanesulfonyloxy)phenyl]ethyne
Alternate Name(s) trifluoromethanesulfonic acid[4-[2-(4-bromophenyl)ethynyl]phenyl]ester [4-[2-(4-Bromophenyl)ethynyl]phenyl]trifluoromethanesulfonate [4-[2-(4-Bromophenyl)ethynyl]phenyl]tris(fluoranyl)methanesulfonate [4-[2-(4-bromophenyl)ethynyl]phenyl] trifluoromethanesulfonate [4-[2-(4-bromophenyl)ethynyl]phenyl] tris(fluoranyl)methanesulfonate
Comments Less than 3 mono-isotopic peaks
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Formula C15H8BrF3O3S
InChI InChI=1S/C15H8BrF3O3S/c16-13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)22-23(20,21)15(17,18)19/h3-10H
InChIKey WYOAHEWNZUDZES-UHFFFAOYSA-N
Molecular Weight 405.185 g/mol
SMILES C(S(Oc1ccc(C#Cc2ccc(cc2)Br)cc1)(=O)=O)(F)(F)F
SPLASH splash10-00di-0090400000-abe7153c078a65f2d8bf
Source of Spectrum J-63-8924-20
Wiley ID 1371029