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4-(Benzo[1,3]dioxol-5-carbonyl)-3-[hydroxy(4'-methoxyphenyl)methyl]-4,5-dihydrofuran-2(3H)-one
SpectraBase Compound ID EbwiSYXSGw2
InChI InChI=1S/C20H18O7/c1-24-13-5-2-11(3-6-13)19(22)17-14(9-25-20(17)23)18(21)12-4-7-15-16(8-12)27-10-26-15/h2-8,14,17,19,22H,9-10H2,1H3
InChIKey WIVLWDPBOCLYCU-UHFFFAOYSA-N
Mol Weight 370.36 g/mol
Molecular Formula C20H18O7
Exact Mass 370.105253 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BrP1yNdskG4
Name 4-(Benzo[1,3]dioxol-5-carbonyl)-3-[hydroxy(4'-methoxyphenyl)methyl]-4,5-dihydrofuran-2(3H)-one
Comments Computed using HOSE algorithm
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Exact Mass 370.105252913 u
Formula C20H18O7
InChI InChI=1S/C20H18O7/c1-24-13-5-2-11(3-6-13)19(22)17-14(9-25-20(17)23)18(21)12-4-7-15-16(8-12)27-10-26-15/h2-8,14,17,19,22H,9-10H2,1H3
InChIKey WIVLWDPBOCLYCU-UHFFFAOYSA-N
Molecular Weight 370.357 g/mol
SMILES C1(C(C(=O)OC1)C(C1=CC=C(C=C1)OC)O)C(C=1C=C2OCOC2=CC1)=O