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1-(Pyridin-2-yl)hept-2-yn-1-one
SpectraBase Compound ID HJa9XUTZvxW
InChI InChI=1S/C12H13NO/c1-2-3-4-5-9-12(14)11-8-6-7-10-13-11/h6-8,10H,2-4H2,1H3
InChIKey AYHGVYFWSAFFHU-UHFFFAOYSA-N
Mol Weight 187.24 g/mol
Molecular Formula C12H13NO
Exact Mass 187.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FKDX2bMEKOn
Name 1-(Pyridin-2-yl)hept-2-yn-1-one
Appearance Dark oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO
InChI InChI=1S/C12H13NO/c1-2-3-4-5-9-12(14)11-8-6-7-10-13-11/h6-8,10H,2-4H2,1H3
InChIKey AYHGVYFWSAFFHU-UHFFFAOYSA-N
Instrument Name Agilent 5763
Ionization Type EI
Literature Reference DOI 10.1002/adsc.201900837
Molecular Weight 187.242 g/mol
SMILES C(C#CCCCC)(=O)c1ccccn1
SPLASH splash10-054k-2900000000-5d96d750044d7c1ac38c
Source of Spectrum ASC-361-SM31-10
Thin-Layer Chromatography Rf = 0.38 (hexane/EtOAc, 8:2)
Wiley ID 1838042