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Crotmarin
SpectraBase Compound ID 3ykcSAaQ23p
InChI InChI=1S/C20H20O4/c1-11(2)18-7-13-6-16(17(22)9-20(13)24-18)14-5-12-3-4-15(21)8-19(12)23-10-14/h3-4,6,8-9,14,18,21-22H,1,5,7,10H2,2H3
InChIKey QSBNBPUPUBDYQE-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 EikU14E1bAl
Name Crotmarine
Alternate Name(s) 3-(6-hydroxy-2-isopropenyl-2,3-dihydrobenzofuran-5-yl)chroman-7-ol 3-(6-hydroxy-2-isopropenyl-coumaran-5-yl)chroman-7-ol 3-(6-hydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-7-ol 3-(6-oxidanyl-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-7-ol 3-[6-hydroxy-2-(1-methylethenyl)-2,3-dihydrobenzofuran-5-yl]-3,4-dihydro-2H-1-benzopyran-7-ol
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Formula C20H20O4
InChI InChI=1S/C20H20O4/c1-11(2)18-7-13-6-16(17(22)9-20(13)24-18)14-5-12-3-4-15(21)8-19(12)23-10-14/h3-4,6,8-9,14,18,21-22H,1,5,7,10H2,2H3
InChIKey QSBNBPUPUBDYQE-UHFFFAOYSA-N
Molecular Weight 324.376 g/mol
SMILES Oc1c(C2COc3cc(ccc3C2)O)cc2CC(Oc2c1)C(=C)C
SPLASH splash10-000i-0933000000-705177860c370e36085e
Source of Spectrum X2-47-590-3
Wiley ID 1601486