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2-[2,6-Bis(hex-5-enoxy)phenyl]-9-[2,6-bis(pent-4-enoxy)phenyl]-1,10-phenanthroline

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

2-[2,6-Bis(hex-5-enoxy)phenyl]-9-[2,6-bis(pent-4-enoxy)phenyl]-1,10-phenanthroline
SpectraBase Compound ID 19RuDm228vD
InChI InChI=1S/C46H52N2O4/c1-5-9-13-17-33-51-41-23-20-24-42(52-34-18-14-10-6-2)44(41)38-30-28-36-26-25-35-27-29-37(47-45(35)46(36)48-38)43-39(49-31-15-11-7-3)21-19-22-40(43)50-32-16-12-8-4/h5-8,19-30H,1-4,9-18,31-34H2
InChIKey YOPHLHPEVROVAW-UHFFFAOYSA-N
Mol Weight 696.9 g/mol
Molecular Formula C46H52N2O4
Exact Mass 696.392708 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GY6mNULgYDI
Name 2-[2,6-bis(hex-5-Enoxy)phenyl]-9-[2,6-bis(pent-4-enoxy)phenyl]-1,10-phenanthroline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 696.392708158 u
Formula C46H52N2O4
InChI InChI=1S/C46H52N2O4/c1-5-9-13-17-33-51-41-23-20-24-42(52-34-18-14-10-6-2)44(41)38-30-28-36-26-25-35-27-29-37(47-45(35)46(36)48-38)43-39(49-31-15-11-7-3)21-19-22-40(43)50-32-16-12-8-4/h5-8,19-30H,1-4,9-18,31-34H2
InChIKey YOPHLHPEVROVAW-UHFFFAOYSA-N
SMILES C=1(N=C2C(=CC1)C=CC1=CC=C(N=C21)C1=C(OCCCC=C)C=CC=C1OCCCC=C)C=1C(OCCCCC=C)=CC=CC1OCCCCC=C