| SpectraBase Compound ID | 4MWxIgOryGZ |
|---|---|
| InChI | InChI=1S/C40H28N6O9/c47-37(41-29-12-18-33(19-13-29)45(51)52)25-4-6-27(7-5-25)39(49)43-31-16-22-35(23-17-31)55-36-3-1-2-32(24-36)44-40(50)28-10-8-26(9-11-28)38(48)42-30-14-20-34(21-15-30)46(53)54/h1-24H,(H,41,47)(H,42,48)(H,43,49)(H,44,50) |
| InChIKey | NWDDDBXUEKWAII-UHFFFAOYSA-N |
| Mol Weight | 736.7 g/mol |
| Molecular Formula | C40H28N6O9 |
| Exact Mass | 736.191776 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3GkP1vRUAhz |
|---|---|
| Name | 3,4'-DADPE-DINATA |
| Compound Number | 2127 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H28N6O9 |
| InChI | InChI=1S/C40H28N6O9/c47-37(41-29-12-18-33(19-13-29)45(51)52)25-4-6-27(7-5-25)39(49)43-31-16-22-35(23-17-31)55-36-3-1-2-32(24-36)44-40(50)28-10-8-26(9-11-28)38(48)42-30-14-20-34(21-15-30)46(53)54/h1-24H,(H,41,47)(H,42,48)(H,43,49)(H,44,50) |
| InChIKey | NWDDDBXUEKWAII-UHFFFAOYSA-N |
| Literature Reference Author | W.ROBIEN |
| Literature Reference Citation | W.ROBIEN,PRIVATE_COMMUNICATION |
| Molecular Weight | 736.697 g/mol |
| Sample ID | 2493 |
| Solvent | DMSO-D6 |