Butane-1,4-bis-(3-methyl-benzothiazol-3-ium) hexafluorophosphate salt

SpectraBase Compound ID	D9q5liEOtA
InChI	InChI=1S/C20H22N2S2.2F6P/c1-21-15-9-3-5-11-17(15)23-19(21)13-7-8-14-20-22(2)16-10-4-6-12-18(16)24-20;21-7(2,3,4,5)6/h3-6,9-12H,7-8,13-14H2,1-2H3;;/q+2;2-1
InChIKey	NYSHGDGGEJVCJL-UHFFFAOYSA-N Google Search
Mol Weight	644.45836196 g/mol
Molecular Formula	C20H22F12N2P2S2
Exact Mass	644.050803 g/mol

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SpectraBase Spectrum ID	1VTFZaFmGoa
Name	Butane-1,4-bis-(3-methyl-benzothiazol-3-ium) hexafluorophosphate salt
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H22F12N2P2S2
InChI	InChI=1S/C20H22N2S2.2F6P/c1-21-15-9-3-5-11-17(15)23-19(21)13-7-8-14-20-22(2)16-10-4-6-12-18(16)24-20;21-7(2,3,4,5)6/h3-6,9-12H,7-8,13-14H2,1-2H3;;/q+2;2-1
InChIKey	NYSHGDGGEJVCJL-UHFFFAOYSA-N
Molecular Weight	644.458 g/mol
SMILES	[P-](F)(F)(F)(F)(F)F.c1([n+](c2c(s1)cccc2)C)CCCCc1[n+](c2ccccc2s1)C.[P-](F)(F)(F)(F)(F)F
SPLASH	splash10-0fb9-0941000000-6b031c30f0b08ef3c195
Source of Spectrum	QE-7-2755-12
Synonyms	3-Methyl-2-[4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)butyl]-1,3-benzothiazol-3-ium dihexafluorophosphate Butane-1,4-bisbenzothiazolium hexafluorophosphate salt
Wiley ID	845858