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Panicein-b2
SpectraBase Compound ID KMBDsotL8ZO
InChI InChI=1S/C21H22O4/c1-13-10-19(24)18(12-22)14(2)17(13)7-9-21(3)8-6-15-11-16(23)4-5-20(15)25-21/h4-6,8,10-12,23-24H,7,9H2,1-3H3
InChIKey HXHCCUWOGMBIRD-UHFFFAOYSA-N
Mol Weight 338.4 g/mol
Molecular Formula C21H22O4
Exact Mass 338.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I62OSh3tflb
Name Panicein-b2
Alternate Name(s) 6-Hydroxy-3-[2-(6-hydroxy-2-methyl-1-benzopyran-2-yl)ethyl]-2,4-dimethylbenzaldehyde 6-Hydroxy-3-[2-(6-hydroxy-2-methylchromen-2-yl)ethyl]-2,4-dimethylbenzaldehyde 2,4-Dimethyl-3-[2-(2-methyl-6-oxidanyl-chromen-2-yl)ethyl]-6-oxidanyl-benzaldehyde
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Formula C21H22O4
InChI InChI=1S/C21H22O4/c1-13-10-19(24)18(12-22)14(2)17(13)7-9-21(3)8-6-15-11-16(23)4-5-20(15)25-21/h4-6,8,10-12,23-24H,7,9H2,1-3H3
InChIKey HXHCCUWOGMBIRD-UHFFFAOYSA-N
Molecular Weight 338.403 g/mol
SMILES Oc1c(c(c(CCC2(Oc3c(cc(cc3)O)C=C2)C)c(c1)C)C)C=O
SPLASH splash10-03di-0900000000-241df0b3a696b3ab7e0f
Source of Spectrum X2-56-533-4
Wiley ID 1604829