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1-Butanone, 1-(3-isoquinolyl)-
SpectraBase Compound ID FZfxc6mmmyF
InChI InChI=1S/C13H13NO/c1-2-5-13(15)12-8-10-6-3-4-7-11(10)9-14-12/h3-4,6-9H,2,5H2,1H3
InChIKey SQGDAWQXQGUGEX-UHFFFAOYSA-N
Mol Weight 199.25 g/mol
Molecular Formula C13H13NO
Exact Mass 199.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BYenT5RyuLO
Name 1-Butanone, 1-(3-isoquinolyl)-
CAS Registry Number 7661-41-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO
InChI InChI=1S/C13H13NO/c1-2-5-13(15)12-8-10-6-3-4-7-11(10)9-14-12/h3-4,6-9H,2,5H2,1H3
InChIKey SQGDAWQXQGUGEX-UHFFFAOYSA-N
Molecular Weight 199.253 g/mol
SMILES CCCC(c1cc2ccccc2cn1)=O
SPLASH splash10-004i-2900000000-0014fdade21891d597f7
Source of Spectrum SD-1981-0-0
Synonyms 1-(3-Isoquinolinyl)-1-butanone 1-(3-isoquinolyl)butan-1-one 1-isoquinolin-3-ylbutan-1-one
Wiley ID 1196868