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1,7-bis(4-Hydroxy-3-methoxyphenyl)heptane-3,5-dione

View entire compound with spectra: 1 NMR

1,7-bis(4-Hydroxy-3-methoxyphenyl)heptane-3,5-dione
SpectraBase Compound ID KuS5VfEJDB1
InChI InChI=1S/C21H24O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,24-25H,3-4,7-8,13H2,1-2H3
InChIKey LBTVHXHERHESKG-UHFFFAOYSA-N
Mol Weight 372.42 g/mol
Molecular Formula C21H24O6
Exact Mass 372.157288 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FWV2CEU2pMV
Name 1,7-bis(4-Hydroxy-3-methoxyphenyl)heptane-3,5-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 372.157288487 u
Formula C21H24O6
InChI InChI=1S/C21H24O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,24-25H,3-4,7-8,13H2,1-2H3
InChIKey LBTVHXHERHESKG-UHFFFAOYSA-N
Molecular Weight 372.417 g/mol
SMILES C(CC(CC(CCC1=CC(=C(C=C1)O)OC)=O)=O)C1=CC(=C(C=C1)O)OC