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4'-[11-[4-(4-Hydroxyphenylazo)phenoxy]undecyloxycarbonyl]benzo-15-crown

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

4'-[11-[4-(4-Hydroxyphenylazo)phenoxy]undecyloxycarbonyl]benzo-15-crown
SpectraBase Compound ID 8M44cvtmCMJ
InChI InChI=1S/C38H50N2O9/c41-34-15-11-32(12-16-34)39-40-33-13-17-35(18-14-33)46-20-8-6-4-2-1-3-5-7-9-21-49-38(42)31-10-19-36-37(30-31)48-29-27-45-25-23-43-22-24-44-26-28-47-36/h10-19,30,41H,1-9,20-29H2/b40-39+
InChIKey XDMSPFOSPVXIJG-XQQUEIPISA-N
Mol Weight 678.8 g/mol
Molecular Formula C38H50N2O9
Exact Mass 678.351631 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K1FTIPHnZ7q
Name 4'-[11-[4-(4-Hydroxyphenylazo)phenoxy]undecyloxycarbonyl]benzo-15-crown
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 678.351631189 u
Formula C38H50N2O9
InChI InChI=1S/C38H50N2O9/c41-34-15-11-32(12-16-34)39-40-33-13-17-35(18-14-33)46-20-8-6-4-2-1-3-5-7-9-21-49-38(42)31-10-19-36-37(30-31)48-29-27-45-25-23-43-22-24-44-26-28-47-36/h10-19,30,41H,1-9,20-29H2/b40-39+
InChIKey XDMSPFOSPVXIJG-XQQUEIPISA-N
Molecular Weight 678.823 g/mol
SMILES C(C1=CC2=C(OCCOCCOCCOCCO2)C=C1)(=O)OCCCCCCCCCCCOC1=CC=C(\N=N\C2=CC=C(C=C2)O)C=C1