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2'-(Methoxycarbonyl)-2'-bromobis(1,1':4',1"-terphenyl-4,4"-dimethyl)disulfide

View entire compound with spectra: 1 MS (GC)

2'-(Methoxycarbonyl)-2'-bromobis(1,1':4',1"-terphenyl-4,4"-dimethyl)disulfide
SpectraBase Compound ID 8PVzE9QjqU2
InChI InChI=1S/C42H33BrO2S2/c1-45-42(44)40-36-4-2-5-37(40)33-18-10-29(11-19-33)25-47-27-31-14-22-35(23-15-31)39-7-3-6-38(41(39)43)34-20-12-30(13-21-34)26-46-24-28-8-16-32(36)17-9-28/h2-23H,24-27H2,1H3
InChIKey AVGRGYIXLAVDMV-UHFFFAOYSA-N
Mol Weight 713.7 g/mol
Molecular Formula C42H33BrO2S2
Exact Mass 712.110536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8U9aFByJrbD
Name 2'-(Methoxycarbonyl)-2'-bromobis(1,1':4',1"-terphenyl-4,4"-dimethyl)disulfide
Alternate Name(s) 2'-(Methoxycarbonyl)-2'-bromobis(1,1':4',1''-terphenyl-4,4''-dimethyl)disulfide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H33BrO2S2
InChI InChI=1S/C42H33BrO2S2/c1-45-42(44)40-36-4-2-5-37(40)33-18-10-29(11-19-33)25-47-27-31-14-22-35(23-15-31)39-7-3-6-38(41(39)43)34-20-12-30(13-21-34)26-46-24-28-8-16-32(36)17-9-28/h2-23H,24-27H2,1H3
InChIKey AVGRGYIXLAVDMV-UHFFFAOYSA-N
Molecular Weight 713.748 g/mol
SMILES c1(c2-c3ccc(cc3)CSCc3ccc(-c4cccc(c4Br)-c4ccc(CSCc5ccc(-c1ccc2)cc5)cc4)cc3)C(=O)OC
SPLASH splash10-0159-0039101100-c63c8933ca733617a290
Source of Spectrum F-51-1330-10
Wiley ID 790699