![6-BIS-[4-ADAMANTANE-1-YL)-PHENYL]-4-[4-(TERT.-BUTYL)-PHENYL]-PYRYLIUM-PERCHLORATE](/api/spectrum/1d9cVw3116B/structure.png?h=300&w=458 "6-BIS-[4-ADAMANTANE-1-YL)-PHENYL]-4-[4-(TERT.-BUTYL)-PHENYL]-PYRYLIUM-PERCHLORATE")
| SpectraBase Compound ID | BeWl3cYAicr |
|---|---|
| InChI | InChI=1S/C47H53O.ClHO4/c1-45(2,3)40-10-4-36(5-11-40)39-22-43(37-6-12-41(13-7-37)46-24-30-16-31(25-46)18-32(17-30)26-46)48-44(23-39)38-8-14-42(15-9-38)47-27-33-19-34(28-47)21-35(20-33)29-47;2-1(3,4)5/h4-15,22-23,30-35H,16-21,24-29H2,1-3H3;(H,2,3,4,5)/q+1;/p-1/t30-,31+,32-,33-,34+,35-,46-,47-; |
| InChIKey | VLUZOPCHHMOHIK-NKOCBEJNSA-M |
| Mol Weight | 733.39 g/mol |
| Molecular Formula | C47H53ClO5 |
| Exact Mass | 732.358153 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1d9cVw3116B |
|---|---|
| Name | 6-BIS-[4-ADAMANTANE-1-YL)-PHENYL]-4-[4-(TERT.-BUTYL)-PHENYL]-PYRYLIUM-PERCHLORATE |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H53ClO5 |
| InChI | InChI=1S/C47H53O.ClHO4/c1-45(2,3)40-10-4-36(5-11-40)39-22-43(37-6-12-41(13-7-37)46-24-30-16-31(25-46)18-32(17-30)26-46)48-44(23-39)38-8-14-42(15-9-38)47-27-33-19-34(28-47)21-35(20-33)29-47;2-1(3,4)5/h4-15,22-23,30-35H,16-21,24-29H2,1-3H3;(H,2,3,4,5)/q+1;/p-1/t30-,31+,32-,33-,34+,35-,46-,47-; |
| InChIKey | VLUZOPCHHMOHIK-NKOCBEJNSA-M |
| Literature Reference Author | C.REICHARDT,S.LOEBBECKE,A.M.MEHRANPOUR,G.SCHAEFER |
| Literature Reference Citation | CAN.J.CHEM.,76,686(1998) |
| Literature Reference DOI | 10.1139/cjc-76-6-686 |
| Molecular Weight | 733.388 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP1824 |