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Bis(pyridin-3-yl)prop-2-yn-1-one
SpectraBase Compound ID 34TnrhqyMyG
InChI InChI=1S/C13H8N2O/c16-13(12-4-2-8-15-10-12)6-5-11-3-1-7-14-9-11/h1-4,7-10H
InChIKey YWTISQYZNQNJLO-UHFFFAOYSA-N
Mol Weight 208.22 g/mol
Molecular Formula C13H8N2O
Exact Mass 208.063663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EhTmIX6A6YM
Name Bis(pyridin-3-yl)prop-2-yn-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8N2O
InChI InChI=1S/C13H8N2O/c16-13(12-4-2-8-15-10-12)6-5-11-3-1-7-14-9-11/h1-4,7-10H
InChIKey YWTISQYZNQNJLO-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201103296
Molecular Weight 208.220 g/mol
SMILES c1(cccnc1)C(=O)C#Cc1cnccc1
SPLASH splash10-053r-2940000000-ee0ec10a0dec7c1ad292
Source of Spectrum ACI-50-SM25-5d
Synonyms 1,3-Di(pyridin-3-yl)prop-2-yn-1-one
Wiley ID 1780010