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Pentane-1,5-bisbenzothiazolium hexafluorophosphate salt

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Pentane-1,5-bisbenzothiazolium hexafluorophosphate salt
SpectraBase Compound ID 849zJ9BztOI
InChI InChI=1S/C21H24N2S2.2F6P/c1-22-16-10-6-8-12-18(16)24-20(22)14-4-3-5-15-21-23(2)17-11-7-9-13-19(17)25-21;2*1-7(2,3,4,5)6/h6-13H,3-5,14-15H2,1-2H3;;/q+2;2*-1
InChIKey FTKNDOKYLNAMGS-UHFFFAOYSA-N
Mol Weight 658.48536196 g/mol
Molecular Formula C21H24F12N2P2S2
Exact Mass 658.066453 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1J4CZXJrKBa
Name Pentane-1,5-bisbenzothiazolium hexafluorophosphate salt
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24F12N2P2S2
InChI InChI=1S/C21H24N2S2.2F6P/c1-22-16-10-6-8-12-18(16)24-20(22)14-4-3-5-15-21-23(2)17-11-7-9-13-19(17)25-21;2*1-7(2,3,4,5)6/h6-13H,3-5,14-15H2,1-2H3;;/q+2;2*-1
InChIKey FTKNDOKYLNAMGS-UHFFFAOYSA-N
Molecular Weight 658.485 g/mol
SMILES [P-](F)(F)(F)(F)(F)F.c1([n+](c2c(s1)cccc2)C)CCCCCc1[n+](c2ccccc2s1)C.[P-](F)(F)(F)(F)(F)F
SPLASH splash10-0h00-0901000000-7deb57f3e0d61b6c15d8
Source of Spectrum QE-7-2755-12
Synonyms 3-Methyl-2-[5-(3-methyl-1,3-benzothiazol-3-ium-2-yl)pentyl]-1,3-benzothiazol-3-ium dihexafluorophosphate
Wiley ID 845856