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Crotarin
SpectraBase Compound ID 6svI3q3smq2
InChI InChI=1S/C20H16O6/c1-9(2)16-7-12-14(22)4-3-11(20(12)26-16)13-8-25-17-6-10(21)5-15(23)18(17)19(13)24/h3-6,8,16,21-23H,1,7H2,2H3
InChIKey YAWLWHBWDHQRRT-UHFFFAOYSA-N
Mol Weight 352.34 g/mol
Molecular Formula C20H16O6
Exact Mass 352.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IN2IJT2hQ89
Name Crotarin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16O6
InChI InChI=1S/C20H16O6/c1-9(2)16-7-12-14(22)4-3-11(20(12)26-16)13-8-25-17-6-10(21)5-15(23)18(17)19(13)24/h3-6,8,16,21-23H,1,7H2,2H3
InChIKey YAWLWHBWDHQRRT-UHFFFAOYSA-N
Molecular Weight 352.342 g/mol
SMILES Oc1cc(c2C(C(c3ccc(c4c3OC(C4)C(=C)C)O)=COc2c1)=O)O
SPLASH splash10-000i-0209000000-940e8bac87925e42d118
Source of Spectrum X2-50-268-1
Synonyms 5,7-bis(oxidanyl)-3-(4-oxidanyl-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-7-yl)chromen-4-one 5,7-Dihydroxy-3-(4-hydroxy-2-isopropenyl-2,3-dihydrobenzofuran-7-yl)chromen-4-one 5,7-Dihydroxy-3-(4-hydroxy-2-isopropenyl-coumaran-7-yl)chromone 5,7-Dihydroxy-3-(4-hydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-7-yl)chromen-4-one 5,7-Dihydroxy-3-[4-hydroxy-2-(1-methylethenyl)-2,3-dihydrobenzofuran-7-yl]-1-benzopyran-4-one
Wiley ID 1602204