| SpectraBase Compound ID | ChkmIqtCP7P |
|---|---|
| InChI | InChI=1S/C36H40N2O8/c1-21-18-36-19-25(21)9-14-28(36)34(3)16-15-30(45-32(40)23-5-10-26(37-42)11-6-23)35(4,20-44-22(2)39)29(34)17-31(36)46-33(41)24-7-12-27(38-43)13-8-24/h5-8,10-13,25,28-31H,1,9,14-20H2,2-4H3/t25-,28+,29?,30-,31+,34+,35-,36+/m1/s1 |
| InChIKey | XUTXDFWEJWQUNP-KOMMYENSSA-N |
| Mol Weight | 628.7 g/mol |
| Molecular Formula | C36H40N2O8 |
| Exact Mass | 628.278466 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KbuR2FJemyf |
|---|---|
| Name | 3,7-DI-(4-NITROBENZOYL)-LINEAROL |
| Compound Number | 21 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H40N2O8 |
| InChI | InChI=1S/C36H40N2O8/c1-21-18-36-19-25(21)9-14-28(36)34(3)16-15-30(45-32(40)23-5-10-26(37-42)11-6-23)35(4,20-44-22(2)39)29(34)17-31(36)46-33(41)24-7-12-27(38-43)13-8-24/h5-8,10-13,25,28-31H,1,9,14-20H2,2-4H3/t25-,28+,29?,30-,31+,34+,35-,36+/m1/s1 |
| InChIKey | XUTXDFWEJWQUNP-KOMMYENSSA-N |
| Literature Reference Author | M.BRUNO,S.ROSSELLI,I.PIBIRI,F.PIOZZI,M.L.BONDI,M.S.J.SIMMOND S |
| Literature Reference Citation | PHYTOCHEM.,58,463(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(01)00252-7 |
| Molecular Weight | 628.722 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU2858 |