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7-[2,3-dihydroxy-3-methyl-4-(4-methyl-5-oxo-2-oxolanyl)butoxy]-1-benzopyran-2-one
SpectraBase Compound ID Ht9nemo9UaU
InChI InChI=1S/C19H22O7/c1-11-7-14(25-18(11)22)9-19(2,23)16(20)10-24-13-5-3-12-4-6-17(21)26-15(12)8-13/h3-6,8,11,14,16,20,23H,7,9-10H2,1-2H3
InChIKey VHKBLZRERRUVDQ-UHFFFAOYSA-N
Mol Weight 362.38 g/mol
Molecular Formula C19H22O7
Exact Mass 362.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CGKOI9JtoS9
Name 7-[2,3-dihydroxy-3-methyl-4-(4-methyl-5-oxo-2-oxolanyl)butoxy]-1-benzopyran-2-one
Alternate Name(s) 7-[2,3-dihydroxy-3-methyl-4-(4-methyl-5-oxo-tetrahydrofuran-2-yl)butoxy]chromen-2-one 7-[2,3-dihydroxy-3-methyl-4-(4-methyl-5-oxooxolan-2-yl)butoxy]chromen-2-one 7-[2,3-dihydroxy-4-(5-keto-4-methyl-tetrahydrofuran-2-yl)-3-methyl-butoxy]coumarin 7-[3-methyl-4-(4-methyl-5-oxidanylidene-oxolan-2-yl)-2,3-bis(oxidanyl)butoxy]chromen-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C19H22O7
InChI InChI=1S/C19H22O7/c1-11-7-14(25-18(11)22)9-19(2,23)16(20)10-24-13-5-3-12-4-6-17(21)26-15(12)8-13/h3-6,8,11,14,16,20,23H,7,9-10H2,1-2H3
InChIKey VHKBLZRERRUVDQ-UHFFFAOYSA-N
Molecular Weight 362.378 g/mol
SMILES OC(C(CC1OC(C(C1)C)=O)(O)C)COc1cc2OC(=O)C=Cc2cc1
SPLASH splash10-03di-0009000000-8b4cd6364ad8c08d26f0
Source of Spectrum H1-53-2070-5
Wiley ID 817859