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1,2-Bis[1-methyl-2-phenyl-5-(phenylthio)-4-thiolate-imidazolium-3-yl]phenyl
SpectraBase Compound ID BZSdBt78omZ
InChI InChI=1S/C38H30N4S4/c1-39-33(27-17-7-3-8-18-27)41(35(43)37(39)45-29-21-11-5-12-22-29)31-25-15-16-26-32(31)42-34(28-19-9-4-10-20-28)40(2)38(36(42)44)46-30-23-13-6-14-24-30/h3-26H,1-2H3
InChIKey MOUXDJSTMQUPQQ-UHFFFAOYSA-N
Mol Weight 670.9 g/mol
Molecular Formula C38H30N4S4
Exact Mass 670.135332 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9FAdED8fbIN
Name 1,2-Bis[1-methyl-2-phenyl-5-(phenylthio)-4-thiolate-imidazolium-3-yl]phenyl
Alternate Name(s) 1,1'-(1,2-phenylene)bis(3-methyl-2-phenyl-4-(phenylthio)-1H-imidazol-3-ium-5-thiolate)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H30N4S4
InChI InChI=1S/C38H30N4S4/c1-39-33(27-17-7-3-8-18-27)41(35(43)37(39)45-29-21-11-5-12-22-29)31-25-15-16-26-32(31)42-34(28-19-9-4-10-20-28)40(2)38(36(42)44)46-30-23-13-6-14-24-30/h3-26H,1-2H3
InChIKey MOUXDJSTMQUPQQ-UHFFFAOYSA-N
Molecular Weight 670.926 g/mol
SMILES c1cc(-[n]2c([n+](c(c2[S-])Sc2ccccc2)C)-c2ccccc2)c(cc1)-[n]1c(-c2ccccc2)[n+](C)c(Sc2ccccc2)c1[S-]
SPLASH splash10-00di-0004009000-5c0f9abd6f8861247af2
Source of Spectrum HAC-12-623-13
Wiley ID 1783402