| SpectraBase Compound ID | L26EbjUKW7t |
|---|---|
| InChI | InChI=1S/C39H36N4O6/c1-22(2)19-33-35(45)42-32-18-10-8-16-29(32)39(20-31(36(46)49-39)41-34(44)27-15-7-9-17-30(27)40)37(42)43(33)38(47)48-21-28-25-13-5-3-11-23(25)24-12-4-6-14-26(24)28/h3-18,22,28,31,33,37H,19-21,40H2,1-2H3,(H,41,44)/t31-,33+,37+,39-/m1/s1 |
| InChIKey | VSJJTVXZGXTTEO-CCEHTTTQSA-N |
| Mol Weight | 656.7 g/mol |
| Molecular Formula | C39H36N4O6 |
| Exact Mass | 656.263485 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8kyaGvEkvW3 |
|---|---|
| Name | ANILINE-PRECURSOR-TO-#67B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H36N4O6 |
| InChI | InChI=1S/C39H36N4O6/c1-22(2)19-33-35(45)42-32-18-10-8-16-29(32)39(20-31(36(46)49-39)41-34(44)27-15-7-9-17-30(27)40)37(42)43(33)38(47)48-21-28-25-13-5-3-11-23(25)24-12-4-6-14-26(24)28/h3-18,22,28,31,33,37H,19-21,40H2,1-2H3,(H,41,44)/t31-,33+,37+,39-/m1/s1 |
| InChIKey | VSJJTVXZGXTTEO-CCEHTTTQSA-N |
| Literature Reference Author | B.B.SNIDER,H.ZENG |
| Literature Reference Citation | J.ORG.CHEM.,68,545(2003) |
| Literature Reference DOI | 10.1021/jo0264980 |
| Molecular Weight | 656.738 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN25449 |