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1-(Isoquinolin-3-yl)hex-2-yn-1-one

View entire compound with spectra: 1 MS (GC)

1-(Isoquinolin-3-yl)hex-2-yn-1-one
SpectraBase Compound ID AxEZL01dSxi
InChI InChI=1S/C15H13NO/c1-2-3-4-9-15(17)14-10-12-7-5-6-8-13(12)11-16-14/h5-8,10-11H,2-3H2,1H3
InChIKey FMJGIIJUWCUNRD-UHFFFAOYSA-N
Mol Weight 223.27 g/mol
Molecular Formula C15H13NO
Exact Mass 223.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KVEzLg8beiO
Name 1-(Isoquinolin-3-yl)hex-2-yn-1-one
Alternate Name(s) 1-(3-isoquinolinyl)-2-hexyn-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13NO
InChI InChI=1S/C15H13NO/c1-2-3-4-9-15(17)14-10-12-7-5-6-8-13(12)11-16-14/h5-8,10-11H,2-3H2,1H3
InChIKey FMJGIIJUWCUNRD-UHFFFAOYSA-N
Molecular Weight 223.275 g/mol
SMILES C(C#CCCC)(=O)c1ncc2c(c1)cccc2
SPLASH splash10-002b-3900000000-7a514ccde4c7efab19bf
Source of Spectrum KD-12-1193-6
Wiley ID 1634390