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7-Hydroxy-6-propanoylcoumarin
SpectraBase Compound ID IfTTlDk0Pyw
InChI InChI=1S/C12H10O4/c1-2-9(13)8-5-7-3-4-12(15)16-11(7)6-10(8)14/h3-6,14H,2H2,1H3
InChIKey GJOCMGDMAGUOKE-UHFFFAOYSA-N
Mol Weight 218.21 g/mol
Molecular Formula C12H10O4
Exact Mass 218.057909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GytRvX3bKBa
Name 7-Hydroxy-6-propanoylcoumarin
Alternate Name(s) 7-Hydroxy-6-propionyl-2H-chromen-2-one 7-Hydroxy-6-(1-oxopropyl)-1-benzopyran-2-one 7-Hydroxy-6-propanoylchromen-2-one 7-Hydroxy-6-propanoyl-chromen-2-one 7-Oxidanyl-6-propanoyl-chromen-2-one
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Formula C12H10O4
InChI InChI=1S/C12H10O4/c1-2-9(13)8-5-7-3-4-12(15)16-11(7)6-10(8)14/h3-6,14H,2H2,1H3
InChIKey GJOCMGDMAGUOKE-UHFFFAOYSA-N
Molecular Weight 218.208 g/mol
SMILES Oc1c(cc2c(OC(C=C2)=O)c1)C(=O)CC
SPLASH splash10-000i-0920000000-872eb053a7626e71e4c5
Source of Spectrum F-48-7589-0
Wiley ID 1217477