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9-(1,3-Benzodioxol-5-yl)-1-(2,6-dihydroxyphenyl)-3-hydroxy-1-nonanone

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9-(1,3-Benzodioxol-5-yl)-1-(2,6-dihydroxyphenyl)-3-hydroxy-1-nonanone
SpectraBase Compound ID 1TJVH6Lpmnj
InChI InChI=1S/C22H26O6/c23-16(13-19(26)22-17(24)8-5-9-18(22)25)7-4-2-1-3-6-15-10-11-20-21(12-15)28-14-27-20/h5,8-12,16,23-25H,1-4,6-7,13-14H2
InChIKey FBNAQZNZDQOMGL-UHFFFAOYSA-N
Mol Weight 386.44 g/mol
Molecular Formula C22H26O6
Exact Mass 386.172939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6i1n1hU6LTF
Name 9-(1,3-Benzodioxol-5-yl)-1-(2,6-dihydroxyphenyl)-3-hydroxy-1-nonanone
Comments Computed using HOSE algorithm
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Exact Mass 386.172938551 u
Formula C22H26O6
InChI InChI=1S/C22H26O6/c23-16(13-19(26)22-17(24)8-5-9-18(22)25)7-4-2-1-3-6-15-10-11-20-21(12-15)28-14-27-20/h5,8-12,16,23-25H,1-4,6-7,13-14H2
InChIKey FBNAQZNZDQOMGL-UHFFFAOYSA-N
Molecular Weight 386.444 g/mol
SMILES C(CC(CCCCCCC=1C=C2C(=CC1)OCO2)O)(=O)C=1C(=CC=CC1O)O