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1-(2-Chloro-5-nitrophenyl)-3-p-tolylprop-2-yn-1-one
SpectraBase Compound ID yYk2qTNOgh
InChI InChI=1S/C16H10ClNO3/c1-11-2-4-12(5-3-11)6-9-16(19)14-10-13(18(20)21)7-8-15(14)17/h2-5,7-8,10H,1H3
InChIKey BIKGBWYWWZBHHS-UHFFFAOYSA-N
Mol Weight 299.71 g/mol
Molecular Formula C16H10ClNO3
Exact Mass 299.034921 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7EWKxeZz56w
Name 1-(2-Chloro-5-nitrophenyl)-3-p-tolylprop-2-yn-1-one
Alternate Name(s) 1-(2-Chloro-5-nitrophenyl)-3-(p-tolyl)prop-2-yn-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H10ClNO3
InChI InChI=1S/C16H10ClNO3/c1-11-2-4-12(5-3-11)6-9-16(19)14-10-13(18(20)21)7-8-15(14)17/h2-5,7-8,10H,1H3
InChIKey BIKGBWYWWZBHHS-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C5RA10948E
Molecular Weight 299.713 g/mol
SMILES C(C#Cc1ccc(cc1)C)(=O)c1c(ccc(c1)[N+](=O)[O-])Cl
SPLASH splash10-0006-0951000000-630db88226c6b4e631ee
Source of Spectrum RSA-5-60064-6a
Wiley ID 1805617