![1-[4-[2,4,5-TRI-(4-ACETYLPHENOXYMETHYL)-BEZYLOXY]-PHENYL]-1-ETHANONE-N-ETHOXYCARBONYLHYDRAZONE](/api/spectrum/Gb7ayhjzUFH/structure.png?h=300&w=458 "1-[4-[2,4,5-TRI-(4-ACETYLPHENOXYMETHYL)-BEZYLOXY]-PHENYL]-1-ETHANONE-N-ETHOXYCARBONYLHYDRAZONE")
| SpectraBase Compound ID | AiMabWfDufa |
|---|---|
| InChI | InChI=1S/C54H62N8O12/c1-9-67-51(63)59-55-35(5)39-13-21-47(22-14-39)71-31-43-29-45(33-73-49-25-17-41(18-26-49)37(7)57-61-53(65)69-11-3)46(34-74-50-27-19-42(20-28-50)38(8)58-62-54(66)70-12-4)30-44(43)32-72-48-23-15-40(16-24-48)36(6)56-60-52(64)68-10-2/h13-30H,9-12,31-34H2,1-8H3,(H,59,63)(H,60,64)(H,61,65)(H,62,66)/b55-35+,56-36+,57-37+,58-38+ |
| InChIKey | BKGHZKKXQQPFSE-LGENNVIBSA-N |
| Mol Weight | 1015.1 g/mol |
| Molecular Formula | C54H62N8O12 |
| Exact Mass | 1014.448719 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gb7ayhjzUFH |
|---|---|
| Name | 1-[4-[2,4,5-TRI-(4-ACETYLPHENOXYMETHYL)-BEZYLOXY]-PHENYL]-1-ETHANONE-N-ETHOXYCARBONYLHYDRAZONE |
| Compound Number | 4 C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H62N8O12 |
| InChI | InChI=1S/C54H62N8O12/c1-9-67-51(63)59-55-35(5)39-13-21-47(22-14-39)71-31-43-29-45(33-73-49-25-17-41(18-26-49)37(7)57-61-53(65)69-11-3)46(34-74-50-27-19-42(20-28-50)38(8)58-62-54(66)70-12-4)30-44(43)32-72-48-23-15-40(16-24-48)36(6)56-60-52(64)68-10-2/h13-30H,9-12,31-34H2,1-8H3,(H,59,63)(H,60,64)(H,61,65)(H,62,66)/b55-35+,56-36+,57-37+,58-38+ |
| InChIKey | BKGHZKKXQQPFSE-LGENNVIBSA-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 | 1015.133 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU22517 |