| SpectraBase Compound ID | LnODoEE9P6U |
|---|---|
| InChI | InChI=1S/C64H62N4O12.2O.U/c1-39-21-23-53(69)51(33-39)67-63(73)47-35-41-11-3-5-15-45(41)57-58-46-16-6-4-12-42(46)36-48(64(74)68-52-34-40(2)22-24-54(52)70)62(58)80-32-28-76-26-30-78-56-20-10-14-44(60(56)72)38-66-50-18-8-7-17-49(50)65-37-43-13-9-19-55(59(43)71)77-29-25-75-27-31-79-61(47)57;;;/h3-6,9-16,19-24,33-38,49-50,69-72H,7-8,17-18,25-32H2,1-2H3,(H,67,73)(H,68,74);;; |
| InChIKey | HLASGJIUFLXCDH-UHFFFAOYSA-N |
| Mol Weight | 1349.2 g/mol |
| Molecular Formula | C64H62N4O14U |
| Exact Mass | 1348.477043 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2dFZiTPBhrw |
|---|---|
| Name | HLASGJIUFLXCDH-UHFFFAOYSA-N |
| Compound Number | 3E |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H62N4O14U |
| InChI | InChI=1S/C64H62N4O12.2O.U/c1-39-21-23-53(69)51(33-39)67-63(73)47-35-41-11-3-5-15-45(41)57-58-46-16-6-4-12-42(46)36-48(64(74)68-52-34-40(2)22-24-54(52)70)62(58)80-32-28-76-26-30-78-56-20-10-14-44(60(56)72)38-66-50-18-8-7-17-49(50)65-37-43-13-9-19-55(59(43)71)77-29-25-75-27-31-79-61(47)57;;;/h3-6,9-16,19-24,33-38,49-50,69-72H,7-8,17-18,25-32H2,1-2H3,(H,67,73)(H,68,74);;; |
| InChIKey | HLASGJIUFLXCDH-UHFFFAOYSA-N |
| Literature Reference Author | A.M.REICHWEIN,W.VERBOOM,D.N.REINHOUDT |
| Literature Reference Citation | REC.TR.CH.P.-B.,112,595(1993) |
| Literature Reference DOI | 10.1002/recl.19931121106 |
| Molecular Weight | 1349.244 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS2518 |