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Anisocoumarin E
SpectraBase Compound ID 13ZYEw9QUwo
InChI InChI=1S/C19H22O4/c1-12(2)9-10-22-17-7-5-14-6-8-18(21)23-19(14)15(17)11-16(20)13(3)4/h5-9,13H,10-11H2,1-4H3
InChIKey XWQPFCRDLSVCLK-UHFFFAOYSA-N
Mol Weight 314.38 g/mol
Molecular Formula C19H22O4
Exact Mass 314.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KxiAzcPTMJI
Name Anisocoumarin E
Alternate Name(s) 7-(3-Methylbut-2-enoxy)-8-(3-methyl-2-oxobutyl)-1-benzopyran-2-one 7-(3-Methylbut-2-enoxy)-8-(3-methyl-2-oxobutyl)chromen-2-one 7-(3-Methylbut-2-enoxy)-8-(3-methyl-2-oxo-butyl)chromen-2-one 7-(3-Methylbut-2-enoxy)-8-(3-methyl-2-oxidanylidene-butyl)chromen-2-one
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Formula C19H22O4
InChI InChI=1S/C19H22O4/c1-12(2)9-10-22-17-7-5-14-6-8-18(21)23-19(14)15(17)11-16(20)13(3)4/h5-9,13H,10-11H2,1-4H3
InChIKey XWQPFCRDLSVCLK-UHFFFAOYSA-N
Molecular Weight 314.381 g/mol
SMILES c1(c2OC(=O)C=Cc2ccc1OCC=C(C)C)CC(=O)C(C)C
SPLASH splash10-00ou-9620000000-217cdb4db78d267958f9
Source of Spectrum X2-52-246-1
Wiley ID 1603009