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3-Phenyl-1-(pyrimidin-5-yl)prop-2-yn-1-one

View entire compound with spectra: 1 MS (GC)

3-Phenyl-1-(pyrimidin-5-yl)prop-2-yn-1-one
SpectraBase Compound ID KOUkcMTcgJV
InChI InChI=1S/C13H8N2O/c16-13(12-8-14-10-15-9-12)7-6-11-4-2-1-3-5-11/h1-5,8-10H
InChIKey ZRRWYYLNZRADHK-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 8tcBfCm2xzn
Name 3-Phenyl-1-(pyrimidin-5-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(12-8-14-10-15-9-12)7-6-11-4-2-1-3-5-11/h1-5,8-10H
InChIKey ZRRWYYLNZRADHK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201103296
Molecular Weight 208.220 g/mol
SMILES c1(cncnc1)C(=O)C#Cc1ccccc1
SPLASH splash10-056r-0930000000-c7cea52b756d3a9847b6
Source of Spectrum ACI-50-SM35-5m
Wiley ID 1780019