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Buxifoliadine A, o,o'-dimethyl ether

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Buxifoliadine A, o,o'-dimethyl ether
SpectraBase Compound ID KvNmvoutmwk
InChI InChI=1S/C27H33NO4/c1-16(2)12-14-19-24-22(27(32-8)20(26(19)31-7)15-13-17(3)4)25(29)18-10-9-11-21(30-6)23(18)28(24)5/h9-13H,14-15H2,1-8H3
InChIKey NQAYKISFYONELZ-UHFFFAOYSA-N
Mol Weight 435.6 g/mol
Molecular Formula C27H33NO4
Exact Mass 435.240959 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IY9i14zrarX
Name Buxifoliadine A, o,o'-dimethyl ether
Comments Computed using HOSE algorithm
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Exact Mass 435.240958543 u
Formula C27H33NO4
InChI InChI=1S/C27H33NO4/c1-16(2)12-14-19-24-22(27(32-8)20(26(19)31-7)15-13-17(3)4)25(29)18-10-9-11-21(30-6)23(18)28(24)5/h9-13H,14-15H2,1-8H3
InChIKey NQAYKISFYONELZ-UHFFFAOYSA-N
Molecular Weight 435.564 g/mol
SMILES C1=CC(=C2C(=C1)C(=O)C1=C(N2C)C(=C(C(=C1OC)CC=C(C)C)OC)CC=C(C)C)OC