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1,5-Bis(psoralen-8-yloxy)-3-oxapentane

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1,5-Bis(psoralen-8-yloxy)-3-oxapentane
SpectraBase Compound ID LLHFOFfQ2Mn
InChI InChI=1S/C26H18O9/c27-19-3-1-15-13-17-5-7-30-21(17)25(23(15)34-19)32-11-9-29-10-12-33-26-22-18(6-8-31-22)14-16-2-4-20(28)35-24(16)26/h1-8,13-14H,9-12H2
InChIKey VOZGNDRELHASDY-UHFFFAOYSA-N
Mol Weight 474.42 g/mol
Molecular Formula C26H18O9
Exact Mass 474.095082 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 42nEVIqlYLK
Name 1,5-bis(Psoralen-8-yloxy)-3-oxapentane
Comments Computed using HOSE algorithm
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Exact Mass 474.095082151 u
Formula C26H18O9
InChI InChI=1S/C26H18O9/c27-19-3-1-15-13-17-5-7-30-21(17)25(23(15)34-19)32-11-9-29-10-12-33-26-22-18(6-8-31-22)14-16-2-4-20(28)35-24(16)26/h1-8,13-14H,9-12H2
InChIKey VOZGNDRELHASDY-UHFFFAOYSA-N
Molecular Weight 474.421 g/mol
SMILES C1=2C(=C3OC=CC3=CC2C=CC(O1)=O)OCCOCCOC=1C=2OC(=O)C=CC2C=C2C1OC=C2