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2H-1-Benzopyran-5,7-diol, 2-[4-(acetyloxy)phenyl]-3,4-dihydro-, 7-acetate
SpectraBase Compound ID 67a7tUXpuBI
InChI InChI=1S/C19H18O6/c1-11(20)23-14-5-3-13(4-6-14)18-8-7-16-17(22)9-15(24-12(2)21)10-19(16)25-18/h3-6,9-10,18,22H,7-8H2,1-2H3
InChIKey NKFWSYBOKIHCMA-UHFFFAOYSA-N
Mol Weight 342.35 g/mol
Molecular Formula C19H18O6
Exact Mass 342.110338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K6mULA5LB0f
Name 2H-1-Benzopyran-5,7-diol, 2-[4-(acetyloxy)phenyl]-3,4-dihydro-, 7-acetate
Comments Computed using HOSE algorithm
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Exact Mass 342.110338294 u
Formula C19H18O6
InChI InChI=1S/C19H18O6/c1-11(20)23-14-5-3-13(4-6-14)18-8-7-16-17(22)9-15(24-12(2)21)10-19(16)25-18/h3-6,9-10,18,22H,7-8H2,1-2H3
InChIKey NKFWSYBOKIHCMA-UHFFFAOYSA-N
Molecular Weight 342.347 g/mol
SMILES C1=2OC(C=3C=CC(OC(=O)C)=CC3)CCC1=C(O)C=C(C2)OC(=O)C