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(4-Nitrophenyl)(phenyl)ethyne
SpectraBase Compound ID 9gHxtcUuwia
InChI InChI=1S/C14H9NO2/c16-15(17)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H
InChIKey JWCIMYGAABSRQD-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 Dj2IXZPeOfN
Name (4-nitro-phenyl) phenylacetylene
Appearance Off-white solid
Carrier Gas Helium
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Exact Mass 223.063328532 u
Formula C14H9NO2
InChI InChI=1S/C14H9NO2/c16-15(17)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H
InChIKey JWCIMYGAABSRQD-UHFFFAOYSA-N
Instrument Name Agilent HP-5890-5973
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800651
Molecular Weight 223.231 g/mol
Quality 63
Reported Formula C14H9NO2
SMILES C(C=1C=CC(=CC1)[N+](=O)[O-])#CC=1C=CC=CC1
SPLASH splash10-00fr-0950000000-f02d5d78723d29bc3dd2
Source of Spectrum K1-2018-SM17-3n (DOI: 10.1002/ejoc.201800651)
Wiley ID 1894297