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3-(2-Phenylethynyl)benzenecarbonitrile
SpectraBase Compound ID AnOHlIpH7t7
InChI InChI=1S/C15H9N/c16-12-15-8-4-7-14(11-15)10-9-13-5-2-1-3-6-13/h1-8,11H
InChIKey GDWRKTTYUZRBEW-UHFFFAOYSA-N
Mol Weight 203.24 g/mol
Molecular Formula C15H9N
Exact Mass 203.073499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1KbvHsUh8nn
Name 3-(phenylethynyl)benzonitrile
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 203.073499294 u
Formula C15H9N
InChI InChI=1S/C15H9N/c16-12-15-8-4-7-14(11-15)10-9-13-5-2-1-3-6-13/h1-8,11H
InChIKey GDWRKTTYUZRBEW-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7000D
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200009
Molecular Weight 203.244 g/mol
Quality 324
SMILES C1=CC(C#CC=2C=CC=C(C2)C#N)=CC=C1
SPLASH splash10-0udi-0290000000-64faa09c84ab5ee0f24a
Source of Spectrum K1-2022-SM47-Table 3, entry 13 (DOI: 10.1002/ejoc.202200009)
Wiley ID 1898460