| SpectraBase Spectrum ID |
BFeUYI8fZiF |
| Name |
2-benzyl-3-keto-isoquinoline-4-carbonitrile |
| Alternate Name(s) |
2-benzyl-3-oxo-isoquinoline-4-carbonitrile
3-oxidanylidene-2-(phenylmethyl)isoquinoline-4-carbonitrile
3-oxo-2-(phenylmethyl)-4-isoquinolinecarbonitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H12N2O |
| InChI |
InChI=1S/C17H12N2O/c18-10-16-15-9-5-4-8-14(15)12-19(17(16)20)11-13-6-2-1-3-7-13/h1-9,12H,11H2 |
| InChIKey |
GCSGPRQYHJOWSV-UHFFFAOYSA-N |
| Molecular Weight |
260.296 g/mol |
| SMILES |
C=1(C(N(Cc2ccccc2)C=C2C1C=CC=C2)=O)C#N |
| SPLASH |
splash10-0006-9010000000-acc44367c4868d3eeaa8 |
| Source of Spectrum |
J-59-6118-4 |
| Wiley ID |
1264144 |
