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1-methyl-4-[(E)-2-phenyl-2-[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)selanyl]ethenesulfonyl]benzene
SpectraBase Compound ID EkmZWPC461w
InChI InChI=1S/C21H13F13O2SSe/c1-12-7-9-14(10-8-12)37(35,36)11-15(13-5-3-2-4-6-13)38-21(33,34)19(28,29)17(24,25)16(22,23)18(26,27)20(30,31)32/h2-11H,1H3/b15-11+
InChIKey CQYBQAMCNWBUHP-RVDMUPIBSA-N
Mol Weight 655.34 g/mol
Molecular Formula C21H13F13O2SSe
Exact Mass 655.959389 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LYZicM5ThlY
Name 1-methyl-4-[(E)-2-phenyl-2-[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)selanyl]ethenesulfonyl]benzene
Appearance Off white solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H13F13O2SSe
InChI InChI=1S/C21H13F13O2SSe/c1-12-7-9-14(10-8-12)37(35,36)11-15(13-5-3-2-4-6-13)38-21(33,34)19(28,29)17(24,25)16(22,23)18(26,27)20(30,31)32/h2-11H,1H3/b15-11+
InChIKey CQYBQAMCNWBUHP-RVDMUPIBSA-N
Instrument Name Agilent HP 5890-5973
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.13.260
Molecular Weight 655.344 g/mol
SMILES c1c(\C([Se]C(F)(F)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)=C/S(=O)(=O)c2ccc(cc2)C)cccc1
SPLASH splash10-0f7x-2903000000-cbda8df955b0dcfd5100
Source of Spectrum BJO-13-SM53-5a
Wiley ID 1848309