![1-[4-[2,3,4,5,6-PENTA-(4-ACETYLPHENOXYMETHYL)-BEZYLOXY]-PHENYL]-1-ETHANONE-N-AMINOCARBONYLSEMICARBAZONE](/api/spectrum/2qPR69vZtjR/structure.png?h=300&w=458 "1-[4-[2,3,4,5,6-PENTA-(4-ACETYLPHENOXYMETHYL)-BEZYLOXY]-PHENYL]-1-ETHANONE-N-AMINOCARBONYLSEMICARBAZONE")
| SpectraBase Compound ID | kXl1wGDAsD |
|---|---|
| InChI | InChI=1S/C66H72N18O12/c1-37(73-79-61(67)85)43-7-19-49(20-8-43)91-31-55-56(32-92-50-21-9-44(10-22-50)38(2)74-80-62(68)86)58(34-94-52-25-13-46(14-26-52)40(4)76-82-64(70)88)60(36-96-54-29-17-48(18-30-54)42(6)78-84-66(72)90)59(35-95-53-27-15-47(16-28-53)41(5)77-83-65(71)89)57(55)33-93-51-23-11-45(12-24-51)39(3)75-81-63(69)87/h7-30H,31-36H2,1-6H3,(H3,67,79,85)(H3,68,80,86)(H3,69,81,87)(H3,70,82,88)(H3,71,83,89)(H3,72,84,90)/b73-37+,74-38+,75-39+,76-40+,77-41+,78-42+ |
| InChIKey | FADVWXALSXUCSL-CRHFRGCPSA-N |
| Mol Weight | 1309.4 g/mol |
| Molecular Formula | C66H72N18O12 |
| Exact Mass | 1308.55771 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2qPR69vZtjR |
|---|---|
| Name | 1-[4-[2,3,4,5,6-PENTA-(4-ACETYLPHENOXYMETHYL)-BEZYLOXY]-PHENYL]-1-ETHANONE-N-AMINOCARBONYLSEMICARBAZONE |
| Compound Number | 3D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C66H72N18O12 |
| InChI | InChI=1S/C66H72N18O12/c1-37(73-79-61(67)85)43-7-19-49(20-8-43)91-31-55-56(32-92-50-21-9-44(10-22-50)38(2)74-80-62(68)86)58(34-94-52-25-13-46(14-26-52)40(4)76-82-64(70)88)60(36-96-54-29-17-48(18-30-54)42(6)78-84-66(72)90)59(35-95-53-27-15-47(16-28-53)41(5)77-83-65(71)89)57(55)33-93-51-23-11-45(12-24-51)39(3)75-81-63(69)87/h7-30H,31-36H2,1-6H3,(H3,67,79,85)(H3,68,80,86)(H3,69,81,87)(H3,70,82,88)(H3,71,83,89)(H3,72,84,90)/b73-37+,74-38+,75-39+,76-40+,77-41+,78-42+ |
| InChIKey | FADVWXALSXUCSL-CRHFRGCPSA-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 | 1309.411 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU22514 |