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3-(4-Butylphenyl)-1-(4-iodophenyl)prop-2-yn-1-one

View entire compound with spectra: 1 MS (GC)

3-(4-Butylphenyl)-1-(4-iodophenyl)prop-2-yn-1-one
SpectraBase Compound ID 1WCCSBTdCkN
InChI InChI=1S/C19H17IO/c1-2-3-4-15-5-7-16(8-6-15)9-14-19(21)17-10-12-18(20)13-11-17/h5-8,10-13H,2-4H2,1H3
InChIKey MDWNMXZHSKCVSL-UHFFFAOYSA-N
Mol Weight 388.25 g/mol
Molecular Formula C19H17IO
Exact Mass 388.03241 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1xFe3ZgQPy6
Name 3-(4-Butylphenyl)-1-(4-iodophenyl)prop-2-yn-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17IO
InChI InChI=1S/C19H17IO/c1-2-3-4-15-5-7-16(8-6-15)9-14-19(21)17-10-12-18(20)13-11-17/h5-8,10-13H,2-4H2,1H3
InChIKey MDWNMXZHSKCVSL-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C5OB00502G
Molecular Weight 388.248 g/mol
SMILES C(C#Cc1ccc(cc1)CCCC)(=O)c1ccc(cc1)I
SPLASH splash10-000i-0309000000-a7071cdcec2b8670bc88
Source of Spectrum F5-13-5090/SM4-3ne
Wiley ID 1806869