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3-HYDROXYMETHYL-6,8-DIMETHOXY-COUMARIN
SpectraBase Compound ID H6kSeWH5zVV
InChI InChI=1S/C12H12O5/c1-15-9-4-7-3-8(6-13)12(14)17-11(7)10(5-9)16-2/h3-5,13H,6H2,1-2H3
InChIKey VEUJKFCQTBOEQL-UHFFFAOYSA-N
Mol Weight 236.22 g/mol
Molecular Formula C12H12O5
Exact Mass 236.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 21uHtACOJSi
Name 3-(hydroxymethyl)-6,8-dimethoxy-1-benzopyran-2-one
CAS Registry Number 130838-24-3
Comments Less than 3 mono-isotopic peaks
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Formula C12H12O5
InChI InChI=1S/C12H12O5/c1-15-9-4-7-3-8(6-13)12(14)17-11(7)10(5-9)16-2/h3-5,13H,6H2,1-2H3
InChIKey VEUJKFCQTBOEQL-UHFFFAOYSA-N
Molecular Weight 236.223 g/mol
SMILES OCC=1C(Oc2c(C1)cc(cc2OC)OC)=O
SPLASH splash10-000i-0090000000-6213c60601abcea9b798
Source of Spectrum I-68-2093-10
Synonyms 3-(hydroxymethyl)-6,8-dimethoxy-chromen-2-one 6,8-dimethoxy-3-methylol-coumarin
Wiley ID 1237822