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

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

1,5-Bis(psoralen-8-yloxy)undecane
SpectraBase Compound ID 2KaYSgHeEh9
InChI InChI=1S/C33H32O8/c1-2-3-4-5-8-25(39-33-29-24(15-18-38-29)20-22-11-13-27(35)41-31(22)33)9-6-7-16-36-32-28-23(14-17-37-28)19-21-10-12-26(34)40-30(21)32/h10-15,17-20,25H,2-9,16H2,1H3
InChIKey BHWAGGSFRUOHBT-UHFFFAOYSA-N
Mol Weight 556.6 g/mol
Molecular Formula C33H32O8
Exact Mass 556.209718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ht4Q8OV2yRo
Name 1,5-bis(Psoralen-8-yloxy)undecane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 556.209717982 u
Formula C33H32O8
InChI InChI=1S/C33H32O8/c1-2-3-4-5-8-25(39-33-29-24(15-18-38-29)20-22-11-13-27(35)41-31(22)33)9-6-7-16-36-32-28-23(14-17-37-28)19-21-10-12-26(34)40-30(21)32/h10-15,17-20,25H,2-9,16H2,1H3
InChIKey BHWAGGSFRUOHBT-UHFFFAOYSA-N
Molecular Weight 556.611 g/mol
SMILES C=1(C=2OC(=O)C=CC2C=C2C1OC=C2)OC(CCCCOC=1C=2OC(=O)C=CC2C=C2C1OC=C2)CCCCCC