| SpectraBase Compound ID | IrpCoMNMK8Y |
|---|---|
| InChI | InChI=1S/C38H35N5O6/c1-46-29-17-13-27(14-18-29)38(26-11-7-4-8-12-26,28-15-19-30(47-2)20-16-28)49-31-21-32(44)37(48-22-31)43-24-41-33-34(39-23-40-35(33)43)42-36(45)25-9-5-3-6-10-25/h3-20,23-24,31-32,37,44H,21-22H2,1-2H3,(H,39,40,42,45)/t31-,32+,37+/m1/s1 |
| InChIKey | SASTZFRULZXGHF-PRMRKMRISA-N |
| Mol Weight | 657.7 g/mol |
| Molecular Formula | C38H35N5O6 |
| Exact Mass | 657.258734 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 44o9Rx7goYO |
|---|---|
| Name | SASTZFRULZXGHF-PRMRKMRISA-N |
| Compound Number | 2238 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H35N5O6 |
| InChI | InChI=1S/C38H35N5O6/c1-46-29-17-13-27(14-18-29)38(26-11-7-4-8-12-26,28-15-19-30(47-2)20-16-28)49-31-21-32(44)37(48-22-31)43-24-41-33-34(39-23-40-35(33)43)42-36(45)25-9-5-3-6-10-25/h3-20,23-24,31-32,37,44H,21-22H2,1-2H3,(H,39,40,42,45)/t31-,32+,37+/m1/s1 |
| InChIKey | SASTZFRULZXGHF-PRMRKMRISA-N |
| Literature Reference Author | W.ROBIEN |
| Literature Reference Citation | W.ROBIEN,PRIVATE_COMMUNICATION |
| Molecular Weight | 657.726 g/mol |
| Sample ID | 522 |
| Solvent | CDCl3 |