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1-(4-nitrophenyl)-3-phenylprop-2-yn-1-one
SpectraBase Compound ID J2lnV4PN3mp
InChI InChI=1S/C15H9NO3/c17-15(11-6-12-4-2-1-3-5-12)13-7-9-14(10-8-13)16(18)19/h1-5,7-10H
InChIKey YBONEMWOTSDHME-UHFFFAOYSA-N
Mol Weight 251.24 g/mol
Molecular Formula C15H9NO3
Exact Mass 251.058243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4zebBf6ePI
Name 1-(4-nitrophenyl)-3-phenylprop-2-yn-1-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 251.058243151 u
Formula C15H9NO3
InChI InChI=1S/C15H9NO3/c17-15(11-6-12-4-2-1-3-5-12)13-7-9-14(10-8-13)16(18)19/h1-5,7-10H
InChIKey YBONEMWOTSDHME-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1002/chem.201504255
Molecular Weight 251.241 g/mol
Quality 271
SMILES C1([N+](=O)[O-])=CC=C(C=C1)C(C#CC1=CC=CC=C1)=O
SPLASH splash10-0kor-1390000000-bb62a239819e65dfcbd6
Source of Spectrum QE-21-SM7-13 (DOI: 10.1002/chem.201504255)
Wiley ID 1907503