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4H-Pyran-4-one, 2-methoxy-3,5-dimethyl-6-[tetrahydro-4-[2,4,6-trimethyl-7-(4-nitrophenyl)-2,4,6-heptatrienylidene]-2-furanyl]-, (+)-
SpectraBase Compound ID 7phY81W4Eak
InChI InChI=1S/C28H31NO6/c1-17(11-18(2)13-22-7-9-24(10-8-22)29(31)32)12-19(3)14-23-15-25(34-16-23)27-20(4)26(30)21(5)28(33-6)35-27/h7-14,25H,15-16H2,1-6H3/b17-11+,18-13+,19-12+,23-14-
InChIKey IZICQJAGBLBAMJ-MNOZRKQQSA-N
Mol Weight 477.56 g/mol
Molecular Formula C28H31NO6
Exact Mass 477.215138 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BvftWVjHUq0
Name 4H-Pyran-4-one, 2-methoxy-3,5-dimethyl-6-[tetrahydro-4-[2,4,6-trimethyl-7-(4-nitrophenyl)-2,4,6-heptatrienylidene]-2-furanyl]-, (+)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 477.215137716 u
Formula C28H31NO6
InChI InChI=1S/C28H31NO6/c1-17(11-18(2)13-22-7-9-24(10-8-22)29(31)32)12-19(3)14-23-15-25(34-16-23)27-20(4)26(30)21(5)28(33-6)35-27/h7-14,25H,15-16H2,1-6H3/b17-11+,18-13+,19-12+,23-14-
InChIKey IZICQJAGBLBAMJ-MNOZRKQQSA-N
Molecular Weight 477.557 g/mol
SMILES CC1=C(OC(=C(C1=O)C)OC)C1C\C(=C\C(=C\C(=C\C(=C\C2=CC=C(C=C2)N(=O)=O)C)C)C)CO1