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Bavachin
SpectraBase Compound ID HbnmBaVThvA
InChI InChI=1S/C20H20O4/c1-12(2)3-4-14-9-16-18(23)11-19(24-20(16)10-17(14)22)13-5-7-15(21)8-6-13/h3,5-10,19,21-22H,4,11H2,1-2H3
InChIKey OAUREGNZECGNQS-UHFFFAOYSA-N
Mol Weight 324.38 g/mol
Molecular Formula C20H20O4
Exact Mass 324.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CG6bajwb41
Name Bavachin
Alternate Name(s) 2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-7-oxidanyl-2,3-dihydrochromen-4-one 7-Hydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one 7-Hydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-1-benzopyran-4-one 7-Hydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chroman-4-one
CAS Registry Number 19879-32-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O4
InChI InChI=1S/C20H20O4/c1-12(2)3-4-14-9-16-18(23)11-19(24-20(16)10-17(14)22)13-5-7-15(21)8-6-13/h3,5-10,19,21-22H,4,11H2,1-2H3
InChIKey OAUREGNZECGNQS-UHFFFAOYSA-N
Molecular Weight 324.376 g/mol
SMILES Oc1ccc(C2Oc3c(cc(c(c3)O)CC=C(C)C)C(C2)=O)cc1
SPLASH splash10-05fy-9732000000-0604e3aa235c37b1bc23
Source of Spectrum CD-334-0-0
Wiley ID 1323428