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4-phenylethynyl-pyrimidine

View entire compound with spectra: 1 MS (GC)

4-phenylethynyl-pyrimidine
SpectraBase Compound ID 3s8ngkWVUuX
InChI InChI=1S/C12H8N2/c1-2-4-11(5-3-1)6-7-12-10-13-8-9-14-12/h1-5,8-10H
InChIKey XMFNKZPINKPURY-UHFFFAOYSA-N
Mol Weight 180.21 g/mol
Molecular Formula C12H8N2
Exact Mass 180.068748 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 89TRgtN73NJ
Name 4-phenylethynyl-pyrimidine
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 180.068748266 u
Formula C12H8N2
InChI InChI=1S/C12H8N2/c1-2-4-11(5-3-1)6-7-12-10-13-8-9-14-12/h1-5,8-10H
InChIKey XMFNKZPINKPURY-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7000D
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200009
Molecular Weight 180.210 g/mol
Quality 195
SMILES C1=CC(C#CC2=CN=CC=N2)=CC=C1
SPLASH splash10-001i-0900000000-c2ebf967fd2be08e47c0
Source of Spectrum K1-2022-SM72-Table 5, entry 3 (DOI: 10.1002/ejoc.202200009)
Wiley ID 1898480