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Hexane-1,6-bis-(3-methyl-benzothiazol-3-ium) hexafluorophosphate salt
SpectraBase Compound ID AHNEA3C6tj9
InChI InChI=1S/C22H26N2S2.2F6P/c1-23-17-11-7-9-13-19(17)25-21(23)15-5-3-4-6-16-22-24(2)18-12-8-10-14-20(18)26-22;2*1-7(2,3,4,5)6/h7-14H,3-6,15-16H2,1-2H3;;/q+2;2*-1
InChIKey NXWUVYDKPHXWMN-UHFFFAOYSA-N
Mol Weight 672.51236196 g/mol
Molecular Formula C22H26F12N2P2S2
Exact Mass 672.082103 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HtsBfUblrR0
Name Hexane-1,6-bis-(3-methyl-benzothiazol-3-ium) hexafluorophosphate salt
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26F12N2P2S2
InChI InChI=1S/C22H26N2S2.2F6P/c1-23-17-11-7-9-13-19(17)25-21(23)15-5-3-4-6-16-22-24(2)18-12-8-10-14-20(18)26-22;2*1-7(2,3,4,5)6/h7-14H,3-6,15-16H2,1-2H3;;/q+2;2*-1
InChIKey NXWUVYDKPHXWMN-UHFFFAOYSA-N
Molecular Weight 672.512 g/mol
SMILES [P-](F)(F)(F)(F)(F)F.c1([n+](c2c(s1)cccc2)C)CCCCCCc1[n+](c2ccccc2s1)C.[P-](F)(F)(F)(F)(F)F
SPLASH splash10-014i-0918000000-11fc590c0227807476a9
Source of Spectrum QE-7-2755-12
Synonyms 3-Methyl-2-[6-(3-methyl-1,3-benzothiazol-3-ium-2-yl)hexyl]-1,3-benzothiazol-3-ium dihexafluorophosphate Hexane-1,6-bisbenzothiazolium hexafluorophosphate salt
Wiley ID 845855