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3-(1,1-Dimethylallyl)-8-hydroxy-7-methoxycoumarin
SpectraBase Compound ID GCgex0fmnGB
InChI InChI=1S/C15H16O4/c1-5-15(2,3)10-8-9-6-7-11(18-4)12(16)13(9)19-14(10)17/h5-8,16H,1H2,2-4H3
InChIKey KNZZAAGBIUZSNV-UHFFFAOYSA-N
Mol Weight 260.29 g/mol
Molecular Formula C15H16O4
Exact Mass 260.104859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L1DoLNrpxcd
Name 3-(1,1-Dimethylallyl)-8-hydroxy-7-methoxycoumarin
Comments Computed using HOSE algorithm
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Exact Mass 260.104858991 u
Formula C15H16O4
InChI InChI=1S/C15H16O4/c1-5-15(2,3)10-8-9-6-7-11(18-4)12(16)13(9)19-14(10)17/h5-8,16H,1H2,2-4H3
InChIKey KNZZAAGBIUZSNV-UHFFFAOYSA-N
Molecular Weight 260.289 g/mol
SMILES CC(C)(C=1C(OC2=C(O)C(OC)=CC=C2C1)=O)C=C