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2,9-Bis(5-tert-butyl-2-methoxy-3-pyridylphenyl)-1,10-phenanthroline
SpectraBase Compound ID 1YRPUvfwJAz
InChI InChI=1S/C44H42N4O2/c1-43(2,3)29-23-31(35-13-9-11-21-45-35)41(49-7)33(25-29)37-19-17-27-15-16-28-18-20-38(48-40(28)39(27)47-37)34-26-30(44(4,5)6)24-32(42(34)50-8)36-14-10-12-22-46-36/h9-26H,1-8H3
InChIKey ZDIKGKHYYDLEQR-UHFFFAOYSA-N
Mol Weight 658.8 g/mol
Molecular Formula C44H42N4O2
Exact Mass 658.330777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5bBYm5i1w
Name 2,9-Bis(5-tert-butyl-2-methoxy-3-pyridylphenyl)-1,10-phenanthroline
Alternate Name(s) 2,9-bis[5-tert-butyl-2-methoxy-3-(2-pyridinyl)phenyl][1,10]phenanthroline
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H42N4O2
InChI InChI=1S/C44H42N4O2/c1-43(2,3)29-23-31(35-13-9-11-21-45-35)41(49-7)33(25-29)37-19-17-27-15-16-28-18-20-38(48-40(28)39(27)47-37)34-26-30(44(4,5)6)24-32(42(34)50-8)36-14-10-12-22-46-36/h9-26H,1-8H3
InChIKey ZDIKGKHYYDLEQR-UHFFFAOYSA-N
Molecular Weight 658.846 g/mol
SMILES c1(c(c(-c2ncccc2)cc(c1)C(C)(C)C)OC)-c1nc2c3nc(-c4c(c(-c5ncccc5)cc(c4)C(C)(C)C)OC)ccc3ccc2cc1
SPLASH splash10-0a4i-0000009000-84ea224a4ae39901b7d6
Source of Spectrum F-55-8381-8
Wiley ID 838598