| SpectraBase Compound ID | FKFuXP7uYgZ |
|---|---|
| InChI | InChI=1S/C39H31N3O9/c43-34-28(20-27-21-40-30-19-11-10-18-29(27)30)22-42(39(47)41-34)35-33(51-38(46)26-16-8-3-9-17-26)32(50-37(45)25-14-6-2-7-15-25)31(23-48-35)49-36(44)24-12-4-1-5-13-24/h1-19,21-22,31-33,35,40H,20,23H2,(H,41,43,47)/t31-,32-,33-,35-/m0/s1 |
| InChIKey | BQXVFCVBFBMWNC-TUCRWICHSA-N |
| Mol Weight | 685.7 g/mol |
| Molecular Formula | C39H31N3O9 |
| Exact Mass | 685.20603 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4a1ZVkAi85z |
|---|---|
| Name | BQXVFCVBFBMWNC-TUCRWICHSA-N |
| Compound Number | 1656 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H31N3O9 |
| InChI | InChI=1S/C39H31N3O9/c43-34-28(20-27-21-40-30-19-11-10-18-29(27)30)22-42(39(47)41-34)35-33(51-38(46)26-16-8-3-9-17-26)32(50-37(45)25-14-6-2-7-15-25)31(23-48-35)49-36(44)24-12-4-1-5-13-24/h1-19,21-22,31-33,35,40H,20,23H2,(H,41,43,47)/t31-,32-,33-,35-/m0/s1 |
| InChIKey | BQXVFCVBFBMWNC-TUCRWICHSA-N |
| Literature Reference Author | W.ROBIEN |
| Literature Reference Citation | W.ROBIEN,PRIVATE_COMMUNICATION |
| Molecular Weight | 685.690 g/mol |
| Sample ID | 3674 |
| Solvent | CDCl3 |