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3,7-DI-(4-CYANOBENZOYL)-LINEAROL

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3,7-DI-(4-CYANOBENZOYL)-LINEAROL
SpectraBase Compound ID 8mDUiCrWwt6
InChI InChI=1S/C38H40N2O6/c1-23-18-38-19-29(23)13-14-30(38)36(3)16-15-32(45-34(42)27-9-5-25(20-39)6-10-27)37(4,22-44-24(2)41)31(36)17-33(38)46-35(43)28-11-7-26(21-40)8-12-28/h5-12,29-33H,1,13-19,22H2,2-4H3/t29-,30+,31?,32-,33+,36+,37-,38+/m1/s1
InChIKey RRHONFVNXOYJQF-LQNHZJJISA-N
Mol Weight 620.7 g/mol
Molecular Formula C38H40N2O6
Exact Mass 620.288637 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E85QzBezycu
Name 3,7-DI-(4-CYANOBENZOYL)-LINEAROL
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H40N2O6
InChI InChI=1S/C38H40N2O6/c1-23-18-38-19-29(23)13-14-30(38)36(3)16-15-32(45-34(42)27-9-5-25(20-39)6-10-27)37(4,22-44-24(2)41)31(36)17-33(38)46-35(43)28-11-7-26(21-40)8-12-28/h5-12,29-33H,1,13-19,22H2,2-4H3/t29-,30+,31?,32-,33+,36+,37-,38+/m1/s1
InChIKey RRHONFVNXOYJQF-LQNHZJJISA-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 620.745 g/mol
Solvent CDCl3
Source File Reference UWLU2857