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7-Methoxycoumarin
SpectraBase Compound ID 6JEaIlopuL0
InChI InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3
InChIKey LIIALPBMIOVAHH-UHFFFAOYSA-N
Mol Weight 176.17 g/mol
Molecular Formula C10H8O3
Exact Mass 176.047344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gv9MQwFre0P
Name 7-Methoxy-2H-chromen-2-one
Alternate Name(s) Herniarin
Appearance Colorless crystalline solid
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Formula C10H8O3
InChI InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3
InChIKey LIIALPBMIOVAHH-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.0c02011
Molecular Weight 176.171 g/mol
Reported Formula C10H8O3
SMILES c1c(ccc2c1OC(C=C2)=O)OC
SPLASH splash10-005a-0900000000-4b754966c8889ca588f5
Source of Spectrum JOC-86-191-107
Thin-Layer Chromatography Rf = 0.4 (chloroform)
Wiley ID 1854920