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FUMARIN, PURE RECRYSTALLIZED
SpectraBase Compound ID LKq48dH2mJJ
InChI InChI=1S/C17H14O5/c1-10(18)9-12(13-7-4-8-21-13)15-16(19)11-5-2-3-6-14(11)22-17(15)20/h2-8,12,19H,9H2,1H3
InChIKey JFIXKFSJCQNGEK-UHFFFAOYSA-N
Mol Weight 298.29 g/mol
Molecular Formula C17H14O5
Exact Mass 298.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID P7mShC7jJS
Name Coumafuryl
Alternate Name(s) 3-[1-(2-Furyl)-3-oxobutyl]-4-hydroxy-2H-chromen-2-one Fumarin Krumkil Ratafin Tomarin Lurat Mouse blues Kill-ko rat Cumafuryl 3-(1-Furyl-3-acetylethyl)-4-hydroxycoumarin 4-(2-Furyl)-4-(4-hydroxy-3-coumarinyl)-2-butanone 2H-1-Benzopyran-2-one, 3-[1-(2-furanyl)-3-oxobutyl]-4-hydroxy- Foumarin Furmarin Ratafil Coumarin, 3-(.alpha.-furylacetonyl)-4-hydroxy- Coumarin, 3-(.alpha.-acetonylfurfuryl)-4-hydroxy- 3-(.alpha.-Furyl-.beta.-acetylaethyl)-4-hydroxycumarin 3-[1-(furan-2-yl)-3-oxobutyl]-2-hydroxychromen-4-one
CAS Registry Number 117-52-2
Comments Structure changed after expert review
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Formula C17H14O5
InChI InChI=1S/C17H14O5/c1-10(18)9-12(13-7-4-8-21-13)15-16(19)11-5-2-3-6-14(11)22-17(15)20/h2-8,12,19H,9H2,1H3
InChIKey JFIXKFSJCQNGEK-UHFFFAOYSA-N
Molecular Weight 298.294 g/mol
SMILES OC1=C(C(CC(C)=O)c2ccco2)C(=O)Oc2c1cccc2
SPLASH splash10-0abc-9550000000-d46eca782f557cb86359
Source of Spectrum W5-26796-0-0
Wiley ID 1300932