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5,5'-(1,4-phenylene)-bis[2-(t-butylthio)-1,3-dithiolylium-4-olate
SpectraBase Compound ID CgL8295HlK0
InChI InChI=1S/C20H22O2S6/c1-19(2,3)27-17-23-13(15(21)25-17)11-7-9-12(10-8-11)14-16(22)26-18(24-14)28-20(4,5)6/h7-10H,1-6H3
InChIKey LLMMFJXWRUUMOZ-UHFFFAOYSA-N
Mol Weight 486.8 g/mol
Molecular Formula C20H22O2S6
Exact Mass 485.994407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3FFPOisBtmV
Name 5,5'-(1,4-phenylene)-bis[2-(t-butylthio)-1,3-dithiolylium-4-olate
CAS Registry Number 106095-30-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O2S6
InChI InChI=1S/C20H22O2S6/c1-19(2,3)27-17-23-13(15(21)25-17)11-7-9-12(10-8-11)14-16(22)26-18(24-14)28-20(4,5)6/h7-10H,1-6H3
InChIKey LLMMFJXWRUUMOZ-UHFFFAOYSA-N
Molecular Weight 486.754 g/mol
SMILES c1([s+]c(c(s1)[O-])-c1ccc(-c2[s+]c(SC(C)(C)C)sc2[O-])cc1)SC(C)(C)C
SPLASH splash10-056r-9000000000-0e6c28f815b1c624579b
Source of Spectrum K-120-418-6
Synonyms 2-(tert-butylsulfanyl)-5-{4-[2-(tert-butylsulfanyl)-4-oxido-1,3-dithiol-1-ium-5-yl]phenyl}-1,3-dithiol-1-ium-4-olate
Wiley ID 1396375