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4,19-Dioxa-1,3(1,4)-dibenzena-2(2,9)-1,10-phenanthrolina-cyclononadecaphan-9-ene

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4,19-Dioxa-1,3(1,4)-dibenzena-2(2,9)-1,10-phenanthrolina-cyclononadecaphan-9-ene
SpectraBase Compound ID 4kdQKemIqwJ
InChI InChI=1S/C38H40N2O2/c1-2-4-6-8-10-12-28-42-34-23-17-30(18-24-34)36-26-20-32-14-13-31-19-25-35(39-37(31)38(32)40-36)29-15-21-33(22-16-29)41-27-11-9-7-5-3-1/h1-2,13-26H,3-12,27-28H2/b2-1-
InChIKey BCTLMFGMZNICIP-UPHRSURJSA-N
Mol Weight 556.8 g/mol
Molecular Formula C38H40N2O2
Exact Mass 556.308979 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AwvKbNR2f37
Name 4,19-Dioxa-1,3(1,4)-dibenzena-2(2,9)-1,10-phenanthrolina-cyclononadecaphan-9-ene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 556.308978534 u
Formula C38H40N2O2
InChI InChI=1S/C38H40N2O2/c1-2-4-6-8-10-12-28-42-34-23-17-30(18-24-34)36-26-20-32-14-13-31-19-25-35(39-37(31)38(32)40-36)29-15-21-33(22-16-29)41-27-11-9-7-5-3-1/h1-2,13-26H,3-12,27-28H2/b2-1-
InChIKey BCTLMFGMZNICIP-UPHRSURJSA-N
Molecular Weight 556.750 g/mol
SMILES C1=2N=C3C=4C=CC(OCCCCCC\C=C/CCCCCCOC5=CC=C(C6=NC2C(=CC=C1C=C3)C=C6)C=C5)=CC4