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1-Nitro-3-(phenylethynyl)benzene
SpectraBase Compound ID 9VWOXuQdROh
InChI InChI=1S/C14H9NO2/c16-15(17)14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-8,11H
InChIKey WIDIJEWZZQPARQ-UHFFFAOYSA-N
Mol Weight 223.23 g/mol
Molecular Formula C14H9NO2
Exact Mass 223.063329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KRoC47Ct8Fe
Name 1-nitro-3-(phenylethynyl)benzene
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H9NO2
InChI InChI=1S/C14H9NO2/c16-15(17)14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-8,11H
InChIKey WIDIJEWZZQPARQ-UHFFFAOYSA-N
Instrument Name Hewlett-Packard HP 6890N
Ionization Type EI
Literature Reference DOI 10.1002/cssc.202101052
Molecular Weight 223.231 g/mol
SMILES c1([N+](=O)[O-])cc(ccc1)C#Cc1ccccc1
SPLASH splash10-00di-0790000000-7745e59ce3456e8cadb6
Source of Spectrum CSC-14-SM15-3ca
Wiley ID 1865387