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1-(2-Chloro-5-nitrophenyl)hept-2-yn-1-one
SpectraBase Compound ID 99seGX2AFBB
InChI InChI=1S/C13H12ClNO3/c1-2-3-4-5-6-13(16)11-9-10(15(17)18)7-8-12(11)14/h7-9H,2-4H2,1H3
InChIKey BZOHCBODOFAWJW-UHFFFAOYSA-N
Mol Weight 265.7 g/mol
Molecular Formula C13H12ClNO3
Exact Mass 265.050571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LWyPEr57bUV
Name 1-(2-Chloro-5-nitrophenyl)hept-2-yn-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12ClNO3
InChI InChI=1S/C13H12ClNO3/c1-2-3-4-5-6-13(16)11-9-10(15(17)18)7-8-12(11)14/h7-9H,2-4H2,1H3
InChIKey BZOHCBODOFAWJW-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C5RA10948E
Molecular Weight 265.696 g/mol
SMILES C(C#CCCCC)(=O)c1c(ccc(c1)[N+](=O)[O-])Cl
SPLASH splash10-05al-7920000000-72e209b29b89826cd8f2
Source of Spectrum RSA-5-60065-6c
Wiley ID 1805619