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1-(2-Chloro-5-nitrophenyl)oct-2-yn-1-one
SpectraBase Compound ID F7ViAf88CYx
InChI InChI=1S/C14H14ClNO3/c1-2-3-4-5-6-7-14(17)12-10-11(16(18)19)8-9-13(12)15/h8-10H,2-5H2,1H3
InChIKey PWDWIZNKADLURL-UHFFFAOYSA-N
Mol Weight 279.72 g/mol
Molecular Formula C14H14ClNO3
Exact Mass 279.066221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dqk6wH2Ij3t
Name 1-(2-Chloro-5-nitrophenyl)oct-2-yn-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14ClNO3
InChI InChI=1S/C14H14ClNO3/c1-2-3-4-5-6-7-14(17)12-10-11(16(18)19)8-9-13(12)15/h8-10H,2-5H2,1H3
InChIKey PWDWIZNKADLURL-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C5RA10948E
Molecular Weight 279.723 g/mol
SMILES C(C#CCCCCC)(=O)c1c(ccc(c1)[N+](=O)[O-])Cl
SPLASH splash10-001s-9720000000-428ad5b6563aaf93324f
Source of Spectrum RSA-5-60066-6d
Wiley ID 1805620