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3-Phenyl-2-prop-2-ynyl-1-isoquinolinone
SpectraBase Compound ID 7283Iwwrq0
InChI InChI=1S/C18H13NO/c1-2-12-19-17(14-8-4-3-5-9-14)13-15-10-6-7-11-16(15)18(19)20/h1,3-11,13H,12H2
InChIKey OGQKZWXQRUEDPP-UHFFFAOYSA-N
Mol Weight 259.31 g/mol
Molecular Formula C18H13NO
Exact Mass 259.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EYSVE5ztmgh
Name 3-Phenyl-2-prop-2-ynyl-1-isoquinolinone
Alternate Name(s) 3-Phenyl-2-prop-2-ynyl-isoquinolin-1-one 3-Phenyl-2-propargyl-isocarbostyril
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13NO
InChI InChI=1S/C18H13NO/c1-2-12-19-17(14-8-4-3-5-9-14)13-15-10-6-7-11-16(15)18(19)20/h1,3-11,13H,12H2
InChIKey OGQKZWXQRUEDPP-UHFFFAOYSA-N
Molecular Weight 259.308 g/mol
SMILES C1(N(C(=Cc2ccccc12)c1ccccc1)CC#C)=O
SPLASH splash10-0a4i-0290000000-fb6158e228005396d970
Source of Spectrum Y-38-599-4
Wiley ID 848373