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3,3'-Methylenebis[7-fluoro-4-hydroxycoumarin]
SpectraBase Compound ID 7xB7LS2b87e
InChI InChI=1S/C19H10F2O6/c20-8-1-3-10-14(5-8)26-18(24)12(16(10)22)7-13-17(23)11-4-2-9(21)6-15(11)27-19(13)25/h1-6,22-23H,7H2
InChIKey PWXDCIOXDJGRCP-UHFFFAOYSA-N
Mol Weight 372.28 g/mol
Molecular Formula C19H10F2O6
Exact Mass 372.044544 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HYQkDjM2ua9
Name 3,3'-Methylenebis[7-fluoro-4-hydroxycoumarin]
Comments Computed using HOSE algorithm
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Exact Mass 372.044544362 u
Formula C19H10F2O6
InChI InChI=1S/C19H10F2O6/c20-8-1-3-10-14(5-8)26-18(24)12(16(10)22)7-13-17(23)11-4-2-9(21)6-15(11)27-19(13)25/h1-6,22-23H,7H2
InChIKey PWXDCIOXDJGRCP-UHFFFAOYSA-N
Molecular Weight 372.280 g/mol
SMILES OC1=C(CC2=C(O)C3=C(OC2=O)C=C(C=C3)F)C(OC=2C=C(C=CC12)F)=O