![1-[4-[2,4,5-TRI-(4-ACETYLPHENOXYMETHYL)-BEZYLOXY]-PHENYL]-1-ETHANONE-N-AMINOCARBONYLSEMICARBAZONE](/api/spectrum/cphAWtQQnM/structure.png?h=300&w=458 "1-[4-[2,4,5-TRI-(4-ACETYLPHENOXYMETHYL)-BEZYLOXY]-PHENYL]-1-ETHANONE-N-AMINOCARBONYLSEMICARBAZONE")
| SpectraBase Compound ID | 4yGGIeEDGgm |
|---|---|
| InChI | InChI=1S/C46H50N12O8/c1-27(51-55-43(47)59)31-5-13-39(14-6-31)63-23-35-21-37(25-65-41-17-9-33(10-18-41)29(3)53-57-45(49)61)38(26-66-42-19-11-34(12-20-42)30(4)54-58-46(50)62)22-36(35)24-64-40-15-7-32(8-16-40)28(2)52-56-44(48)60/h5-22H,23-26H2,1-4H3,(H3,47,55,59)(H3,48,56,60)(H3,49,57,61)(H3,50,58,62)/b51-27+,52-28+,53-29+,54-30+ |
| InChIKey | HKWXLBDCIVAEIH-UIIHDZNOSA-N |
| Mol Weight | 899.0 g/mol |
| Molecular Formula | C46H50N12O8 |
| Exact Mass | 898.387457 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | cphAWtQQnM |
|---|---|
| Name | 1-[4-[2,4,5-TRI-(4-ACETYLPHENOXYMETHYL)-BEZYLOXY]-PHENYL]-1-ETHANONE-N-AMINOCARBONYLSEMICARBAZONE |
| Compound Number | 3C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H50N12O8 |
| InChI | InChI=1S/C46H50N12O8/c1-27(51-55-43(47)59)31-5-13-39(14-6-31)63-23-35-21-37(25-65-41-17-9-33(10-18-41)29(3)53-57-45(49)61)38(26-66-42-19-11-34(12-20-42)30(4)54-58-46(50)62)22-36(35)24-64-40-15-7-32(8-16-40)28(2)52-56-44(48)60/h5-22H,23-26H2,1-4H3,(H3,47,55,59)(H3,48,56,60)(H3,49,57,61)(H3,50,58,62)/b51-27+,52-28+,53-29+,54-30+ |
| InChIKey | HKWXLBDCIVAEIH-UIIHDZNOSA-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 | 898.979 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU22513 |