| SpectraBase Compound ID | Hwy4WQP40y |
|---|---|
| InChI | InChI=1S/C46H45N3O21/c1-21(50)48-35(14-33-19-40(66-26(6)55)44(70-30(10)59)41(20-33)67-27(7)56)46(61)49-34(13-32-17-38(64-24(4)53)43(69-29(9)58)39(18-32)65-25(5)54)45(60)47-12-11-31-15-36(62-22(2)51)42(68-28(8)57)37(16-31)63-23(3)52/h11-13,15-20,35H,14H2,1-10H3,(H,47,60)(H,48,50)(H,49,61)/b12-11+,34-13- |
| InChIKey | KPXMWKIZGKVHRN-YSWVQDOMSA-N |
| Mol Weight | 975.9 g/mol |
| Molecular Formula | C46H45N3O21 |
| Exact Mass | 975.254555 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5TrB8BS6wVm |
|---|---|
| Name | Tunichrome an-1 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C46H45N3O21 |
| InChI | InChI=1S/C46H45N3O21/c1-21(50)48-35(14-33-19-40(66-26(6)55)44(70-30(10)59)41(20-33)67-27(7)56)46(61)49-34(13-32-17-38(64-24(4)53)43(69-29(9)58)39(18-32)65-25(5)54)45(60)47-12-11-31-15-36(62-22(2)51)42(68-28(8)57)37(16-31)63-23(3)52/h11-13,15-20,35H,14H2,1-10H3,(H,47,60)(H,48,50)(H,49,61)/b12-11+,34-13- |
| InChIKey | KPXMWKIZGKVHRN-YSWVQDOMSA-N |
| Instrument Name | Bruker WM-250 |
| Literature Reference | E.M. Oltz, R.C. Bruening, M.J.Smith, J. Am. Chem. Soc. 110, 6162 (1988). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |