| SpectraBase Compound ID | HMw7NUBYnIM |
|---|---|
| InChI | InChI=1S/C36H40N2O8/c1-21-18-36-19-25(21)11-12-28(36)34(3)14-13-30(45-32(40)23-7-5-9-26(15-23)37-42)35(4,20-44-22(2)39)29(34)17-31(36)46-33(41)24-8-6-10-27(16-24)38-43/h5-10,15-16,25,28-31H,1,11-14,17-20H2,2-4H3/t25-,28+,29?,30-,31+,34+,35-,36+/m1/s1 |
| InChIKey | HFFYJZWVPZFJGE-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 | 5MfXeniiRCv |
|---|---|
| Name | 3,7-DI-(3-NITROBENZOYL)-LINEAROL |
| Compound Number | 19 |
| 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)11-12-28(36)34(3)14-13-30(45-32(40)23-7-5-9-26(15-23)37-42)35(4,20-44-22(2)39)29(34)17-31(36)46-33(41)24-8-6-10-27(16-24)38-43/h5-10,15-16,25,28-31H,1,11-14,17-20H2,2-4H3/t25-,28+,29?,30-,31+,34+,35-,36+/m1/s1 |
| InChIKey | HFFYJZWVPZFJGE-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 | UWLU2856 |