![4'-[1,4-PHENYLENE-BIS-(METHANETETRAYL)]-HEXABENZENESULFONIC-ACID](/api/spectrum/EQHsg86wcMl/structure.png?h=300&w=458 "4'-[1,4-PHENYLENE-BIS-(METHANETETRAYL)]-HEXABENZENESULFONIC-ACID")
| SpectraBase Compound ID | 5DQYx8YwcFp |
|---|---|
| InChI | InChI=1S/C44H34O18S6/c45-63(46,47)37-17-5-31(6-18-37)43(32-7-19-38(20-8-32)64(48,49)50,33-9-21-39(22-10-33)65(51,52)53)29-1-2-30(4-3-29)44(34-11-23-40(24-12-34)66(54,55)56,35-13-25-41(26-14-35)67(57,58)59)36-15-27-42(28-16-36)68(60,61)62/h1-28H,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62) |
| InChIKey | UHZJDAISMUORQV-UHFFFAOYSA-N |
| Mol Weight | 1043.1 g/mol |
| Molecular Formula | C44H34O18S6 |
| Exact Mass | 1042.006941 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EQHsg86wcMl |
|---|---|
| Name | 4'-[1,4-PHENYLENE-BIS-(METHANETETRAYL)]-HEXABENZENESULFONIC-ACID |
| Compound Number | 2-SO3H |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H34O18S6 |
| InChI | InChI=1S/C44H34O18S6/c45-63(46,47)37-17-5-31(6-18-37)43(32-7-19-38(20-8-32)64(48,49)50,33-9-21-39(22-10-33)65(51,52)53)29-1-2-30(4-3-29)44(34-11-23-40(24-12-34)66(54,55)56,35-13-25-41(26-14-35)67(57,58)59)36-15-27-42(28-16-36)68(60,61)62/h1-28H,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62) |
| InChIKey | UHZJDAISMUORQV-UHFFFAOYSA-N |
| Literature Reference Author | O.PLIETZSCH,A.SCHADE,A.HAFNER,J.HUUSKONEN,K.RISSANEN,M.NIEGE R,T.MULLER,S.BRAESE |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2013,283(2013) |
| Literature Reference DOI | 10.1002/ejoc.201201162 |
| Molecular Weight | 1043.103 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWBT17406 |