![1-[4-[3,5-DI-(4-ACETYLPHENOXYMETHYL)-BEZYLOXY]-PHENYL]-1-ETHANONE-N-AMINOCARBONYLSEMICARBAZONE](/api/spectrum/uDMlgaAGcV/structure.png?h=300&w=458 "1-[4-[3,5-DI-(4-ACETYLPHENOXYMETHYL)-BEZYLOXY]-PHENYL]-1-ETHANONE-N-AMINOCARBONYLSEMICARBAZONE")
| SpectraBase Compound ID | 5WhNBmu39Zd |
|---|---|
| InChI | InChI=1S/C36H39N9O6/c1-22(40-43-34(37)46)28-4-10-31(11-5-28)49-19-25-16-26(20-50-32-12-6-29(7-13-32)23(2)41-44-35(38)47)18-27(17-25)21-51-33-14-8-30(9-15-33)24(3)42-45-36(39)48/h4-18H,19-21H2,1-3H3,(H3,37,43,46)(H3,38,44,47)(H3,39,45,48)/b40-22+,41-23+,42-24+ |
| InChIKey | OVVASUFRQKEYFC-VOLQWIBKSA-N |
| Mol Weight | 693.8 g/mol |
| Molecular Formula | C36H39N9O6 |
| Exact Mass | 693.30233 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | uDMlgaAGcV |
|---|---|
| Name | 1-[4-[3,5-DI-(4-ACETYLPHENOXYMETHYL)-BEZYLOXY]-PHENYL]-1-ETHANONE-N-AMINOCARBONYLSEMICARBAZONE |
| Compound Number | 3 B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H39N9O6 |
| InChI | InChI=1S/C36H39N9O6/c1-22(40-43-34(37)46)28-4-10-31(11-5-28)49-19-25-16-26(20-50-32-12-6-29(7-13-32)23(2)41-44-35(38)47)18-27(17-25)21-51-33-14-8-30(9-15-33)24(3)42-45-36(39)48/h4-18H,19-21H2,1-3H3,(H3,37,43,46)(H3,38,44,47)(H3,39,45,48)/b40-22+,41-23+,42-24+ |
| InChIKey | OVVASUFRQKEYFC-VOLQWIBKSA-N |
| Literature Reference Author | M.AL-SMADI,S.RATROUT |
| Literature Reference Citation | J.HETCYCL.CHEM.,41,887(2004) |
| Literature Reference DOI | 10.1002/jhet.5570410607 |
| Molecular Weight | 693.762 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU22512 |