For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-(3-keto-1,4-dihydroisoquinolin-2-yl)benzonitrile
SpectraBase Compound ID Cy0gn6d5L7Z
InChI InChI=1S/C16H12N2O/c17-10-12-4-3-7-15(8-12)18-11-14-6-2-1-5-13(14)9-16(18)19/h1-8H,9,11H2
InChIKey LMLYOHCHHAXCKX-UHFFFAOYSA-N
Mol Weight 248.28 g/mol
Molecular Formula C16H12N2O
Exact Mass 248.094963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID B3gZEa74SeG
Name 3-(3-keto-1,4-dihydroisoquinolin-2-yl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12N2O
InChI InChI=1S/C16H12N2O/c17-10-12-4-3-7-15(8-12)18-11-14-6-2-1-5-13(14)9-16(18)19/h1-8H,9,11H2
InChIKey LMLYOHCHHAXCKX-UHFFFAOYSA-N
Molecular Weight 248.285 g/mol
SMILES C1(N(Cc2c(C1)cccc2)c1cc(C#N)ccc1)=O
SPLASH splash10-0udj-0890000000-7f1a44cec64ccdd54214
Source of Spectrum Y-32-75-8
Synonyms 3-(3-oxidanylidene-1,4-dihydroisoquinolin-2-yl)benzenecarbonitrile 3-(3-oxo-1,4-dihydroisoquinolin-2-yl)benzonitrile
Wiley ID 1251573