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1-(Isoquinolin-3-yl)ethanone

View entire compound with spectra: 1 MS (GC)

1-(Isoquinolin-3-yl)ethanone
SpectraBase Compound ID HBkuOMEUvLn
InChI InChI=1S/C11H9NO/c1-8(13)11-6-9-4-2-3-5-10(9)7-12-11/h2-7H,1H3
InChIKey NLMXNLJJYMMQIF-UHFFFAOYSA-N
Mol Weight 171.2 g/mol
Molecular Formula C11H9NO
Exact Mass 171.068414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6oHLL83zHtd
Name 1-(Isoquinolin-3-yl)ethanone
Alternate Name(s) 1-(3-Isoquinolinyl)ethanone 1-(3-Isoquinolyl)ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9NO
InChI InChI=1S/C11H9NO/c1-8(13)11-6-9-4-2-3-5-10(9)7-12-11/h2-7H,1H3
InChIKey NLMXNLJJYMMQIF-UHFFFAOYSA-N
Molecular Weight 171.199 g/mol
SMILES C(C)(c1ncc2c(c1)cccc2)=O
SPLASH splash10-004i-1900000000-44977622a01f3c3dbb7e
Source of Spectrum KD-12-1192-6
Wiley ID 1634394