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2'-o-Methylcajanone

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2'-o-Methylcajanone
SpectraBase Compound ID C0zwew63ZX0
InChI InChI=1S/C26H28O6/c1-14(2)6-7-15-10-17(20(30-5)11-19(15)27)18-13-31-22-12-21-16(8-9-26(3,4)32-21)24(28)23(22)25(18)29/h6,8-12,18,27-28H,7,13H2,1-5H3
InChIKey REBVXJPVOISSEO-UHFFFAOYSA-N
Mol Weight 436.5 g/mol
Molecular Formula C26H28O6
Exact Mass 436.188589 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LTwFDbOHYFX
Name 2'-o-Methylcajanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.188588616 u
Formula C26H28O6
InChI InChI=1S/C26H28O6/c1-14(2)6-7-15-10-17(20(30-5)11-19(15)27)18-13-31-22-12-21-16(8-9-26(3,4)32-21)24(28)23(22)25(18)29/h6,8-12,18,27-28H,7,13H2,1-5H3
InChIKey REBVXJPVOISSEO-UHFFFAOYSA-N
Molecular Weight 436.504 g/mol
SMILES C12=C(C(=C3C(=C2)OC(C=C3)(C)C)O)C(C(CO1)C=1C=C(C(=CC1OC)O)CC=C(C)C)=O