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4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbutyl)-
SpectraBase Compound ID AkUP0TYHmGK
InChI InChI=1S/C21H24O5/c1-12(2)4-9-15-16(23)10-19(25-3)20-17(24)11-18(26-21(15)20)13-5-7-14(22)8-6-13/h5-8,10,12,18,22-23H,4,9,11H2,1-3H3
InChIKey QTGFVMMPHKFKQL-UHFFFAOYSA-N
Mol Weight 356.42 g/mol
Molecular Formula C21H24O5
Exact Mass 356.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IHbQSatZ8yl
Name 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbutyl)-
CAS Registry Number 72060-15-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24O5
InChI InChI=1S/C21H24O5/c1-12(2)4-9-15-16(23)10-19(25-3)20-17(24)11-18(26-21(15)20)13-5-7-14(22)8-6-13/h5-8,10,12,18,22-23H,4,9,11H2,1-3H3
InChIKey QTGFVMMPHKFKQL-UHFFFAOYSA-N
Molecular Weight 356.418 g/mol
SMILES Oc1ccc(C2Oc3c(c(cc(c3CCC(C)C)O)OC)C(C2)=O)cc1
SPLASH splash10-0f89-8942000000-1ff67555a1d2ca90f642
Source of Spectrum W6-31260-0-0
Synonyms 7-Hydroxy-2-(4-hydroxyphenyl)-8-isopentyl-5-methoxy-2,3-dihydro-4H-chromen-4-one 2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbutyl)-7-oxidanyl-2,3-dihydrochromen-4-one 7-Hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbutyl)-2,3-dihydrochromen-4-one 7-Hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbutyl)-3,4-dihydro-2H-1-benzopyran-4-one 7-Hydroxy-2-(4-hydroxyphenyl)-8-isoamyl-5-methoxy-chroman-4-one 7-Hydroxy-2-(4-hydroxyphenyl)-8-isopentyl-5-methoxy-chroman-4-one
Wiley ID 52713