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3-Isopropyl-1-(prop-2'-ynyl)isoquinolin-1(2H)-one
SpectraBase Compound ID DdVRGF5EjB8
InChI InChI=1S/C15H15NO/c1-4-9-17-15-13-8-6-5-7-12(13)10-14(16-15)11(2)3/h1,5-8,10-11H,9H2,2-3H3
InChIKey UKUGOJPSYNYYJB-UHFFFAOYSA-N
Mol Weight 225.29 g/mol
Molecular Formula C15H15NO
Exact Mass 225.115364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EoGBzC4zjzF
Name 3-Isopropyl-1-(prop-2'-ynyl)isoquinolin-1(2H)-one
Alternate Name(s) 3-isopropyl-1-(2-propynyloxy)isoquinoline 3-isopropyl-1-isoquinolinyl 2-propynyl ether 3-Propan-2-yl-1-prop-2-ynoxyisoquinoline 3-isopropyl-1-prop-2-ynoxy-isoquinoline 3-Propan-2-yl-1-prop-2-ynoxy-isoquinoline
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Formula C15H15NO
InChI InChI=1S/C15H15NO/c1-4-9-17-15-13-8-6-5-7-12(13)10-14(16-15)11(2)3/h1,5-8,10-11H,9H2,2-3H3
InChIKey UKUGOJPSYNYYJB-UHFFFAOYSA-N
Molecular Weight 225.291 g/mol
SMILES c1(nc(cc2ccccc12)C(C)C)OCC#C
SPLASH splash10-03di-0590000000-50f13ab7a0df56548d2b
Source of Spectrum Y-38-599-5
Wiley ID 848370