| SpectraBase Spectrum ID |
8RUFQcpqtsn |
| Name |
1-Isoquinolinecarbonitrile, 2-benzoyl-1,2-dihydro-1-methyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
274.110613078 u |
| Formula |
C18H14N2O |
| InChI |
InChI=1S/C18H14N2O/c1-18(13-19)16-10-6-5-7-14(16)11-12-20(18)17(21)15-8-3-2-4-9-15/h2-12H,1H3 |
| InChIKey |
IJAOQGGVUPPNCL-UHFFFAOYSA-N |
| SMILES |
C(#N)C1(C)C2=C(C=CN1C(=O)C1=CC=CC=C1)C=CC=C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947885 |
