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[3-Hydroxy-3-methyl-1-(7-oxofuro[3,2-G]chromen-9-yl)oxybutan-2-yl] 3-methylbutanoate
SpectraBase Compound ID KOw6omDfc3f
InChI InChI=1S/C21H24O7/c1-12(2)9-17(23)27-15(21(3,4)24)11-26-20-18-14(7-8-25-18)10-13-5-6-16(22)28-19(13)20/h5-8,10,12,15,24H,9,11H2,1-4H3
InChIKey AEXJMQYVIPHZDJ-UHFFFAOYSA-N
Mol Weight 388.42 g/mol
Molecular Formula C21H24O7
Exact Mass 388.152203 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HsIYdDEehUW
Name [3-Hydroxy-3-methyl-1-(7-oxofuro[3,2-G]chromen-9-yl)oxybutan-2-yl] 3-methylbutanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.152203106 u
Formula C21H24O7
InChI InChI=1S/C21H24O7/c1-12(2)9-17(23)27-15(21(3,4)24)11-26-20-18-14(7-8-25-18)10-13-5-6-16(22)28-19(13)20/h5-8,10,12,15,24H,9,11H2,1-4H3
InChIKey AEXJMQYVIPHZDJ-UHFFFAOYSA-N
Molecular Weight 388.416 g/mol
SMILES C(CC(C)C)(=O)OC(COC1=C2C(=CC=3C=CC(OC13)=O)C=CO2)C(O)(C)C