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Dimethyl-4,4'-(2,6-diphenylpyridine-3,5-diyl)bis(ethyne-2,1-diyl)dibenzoate
SpectraBase Compound ID 3mYrTL4g6mP
InChI InChI=1S/C37H25NO4/c1-41-36(39)30-19-13-26(14-20-30)17-23-32-25-33(24-18-27-15-21-31(22-16-27)37(40)42-2)35(29-11-7-4-8-12-29)38-34(32)28-9-5-3-6-10-28/h3-16,19-22,25H,1-2H3
InChIKey CNZFOXLYXYDYCW-UHFFFAOYSA-N
Mol Weight 547.6 g/mol
Molecular Formula C37H25NO4
Exact Mass 547.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3551jryMABS
Name Dimethyl-4,4'-(2,6-diphenylpyridine-3,5-diyl)bis(ethyne-2,1-diyl)dibenzoate
Appearance Off-white solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H25NO4
InChI InChI=1S/C37H25NO4/c1-41-36(39)30-19-13-26(14-20-30)17-23-32-25-33(24-18-27-15-21-31(22-16-27)37(40)42-2)35(29-11-7-4-8-12-29)38-34(32)28-9-5-3-6-10-28/h3-16,19-22,25H,1-2H3
InChIKey CNZFOXLYXYDYCW-UHFFFAOYSA-N
Instrument Name Agilent 6890/5973 or Agilent 7890/5977
Ionization Type EI
Literature Reference DOI 10.1002/adsc.201900034
Molecular Weight 547.610 g/mol
Reported Formula C37H25NO4
SMILES c1(c(cc(c(n1)-c1ccccc1)C#Cc1ccc(cc1)C(=O)OC)C#Cc1ccc(cc1)C(=O)OC)-c1ccccc1
SPLASH splash10-0002-1010290000-f5e7c9c6e1a449b3dd6e
Source of Spectrum ASC-361-SM8-3f
Wiley ID 1837985