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1,5-Bis(psoralen-8-yloxy)pentane

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

1,5-Bis(psoralen-8-yloxy)pentane
SpectraBase Compound ID zF03A1RBv0
InChI InChI=1S/C27H20O8/c28-20-6-4-16-14-18-8-12-32-22(18)26(24(16)34-20)30-10-2-1-3-11-31-27-23-19(9-13-33-23)15-17-5-7-21(29)35-25(17)27/h4-9,12-15H,1-3,10-11H2
InChIKey BRZWMHQZIIGKHC-UHFFFAOYSA-N
Mol Weight 472.45 g/mol
Molecular Formula C27H20O8
Exact Mass 472.115818 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 75gnS0bJjOC
Name 1,5-bis(Psoralen-8-yloxy)pentane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 472.115817596 u
Formula C27H20O8
InChI InChI=1S/C27H20O8/c28-20-6-4-16-14-18-8-12-32-22(18)26(24(16)34-20)30-10-2-1-3-11-31-27-23-19(9-13-33-23)15-17-5-7-21(29)35-25(17)27/h4-9,12-15H,1-3,10-11H2
InChIKey BRZWMHQZIIGKHC-UHFFFAOYSA-N
Molecular Weight 472.449 g/mol
SMILES C1=2C(=C3OC=CC3=CC2C=CC(O1)=O)OCCCCCOC=1C=2OC(=O)C=CC2C=C2C1OC=C2