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7-[[(E)-3-(4,5-DIHYDRO-5,5-DIMETHYL-4-OXOFURAN-2-YL)-BUT-2-ENYL]-OXY]-3,4-DIMETHYL-2H-1-BENZOFURAN-2-ONE
SpectraBase Compound ID JsCIplMXb1g
InChI InChI=1S/C21H22O5/c1-12(17-11-19(22)21(4,5)26-17)8-9-24-15-6-7-16-13(2)14(3)20(23)25-18(16)10-15/h6-8,10-11H,9H2,1-5H3/b12-8+
InChIKey KLXKFACEHUDUHL-XYOKQWHBSA-N
Mol Weight 354.4 g/mol
Molecular Formula C21H22O5
Exact Mass 354.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kx4cq3HMB18
Name 7-{[(E)-3-(4,5-Dihydro-5,5-dimethyl-4-oxofuran-2-yl)but-2-enyl]oxy}-3,4-dimethyl-2H-chromen-2-one
Alternate Name(s) (E)-7-((3-(5,5-dimethyl-4-oxo-4,5-dihydrofuran-2-yl)but-2-en-1-yl)oxy)-3,4-dimethyl-2H-chromen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O5
InChI InChI=1S/C21H22O5/c1-12(17-11-19(22)21(4,5)26-17)8-9-24-15-6-7-16-13(2)14(3)20(23)25-18(16)10-15/h6-8,10-11H,9H2,1-5H3/b12-8+
InChIKey KLXKFACEHUDUHL-XYOKQWHBSA-N
Literature Reference DOI 10.1002/cbdv.200490089
Molecular Weight 354.402 g/mol
SMILES C1(C(=C(c2ccc(cc2O1)OC\C=C/(C)C=1OC(C(C1)=O)(C)C)C)C)=O
SPLASH splash10-014i-9400000000-19ad1daf8f1feab65473
Source of Spectrum CBD-1-1277-12
Wiley ID 1790072