| SpectraBase Spectrum ID |
6ZBcshRTAbt |
| Name |
4-Benzoyl-1,2,3,4-tetrahydrobenzo[F]quinoline-3-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.126263142 u |
| Formula |
C21H16N2O |
| InChI |
InChI=1S/C21H16N2O/c22-14-17-11-12-19-18-9-5-4-6-15(18)10-13-20(19)23(17)21(24)16-7-2-1-3-8-16/h1-10,13,17H,11-12H2 |
| InChIKey |
AJJHVONVMDVCET-UHFFFAOYSA-N |
| SMILES |
C12=CC=C3C=CC=CC3=C1CCC(N2C(C=1C=CC=CC1)=O)C#N |
| Spectrum/Structure Validation Score (Raman) |
0.935758 |
![4-Benzoyl-1,2,3,4-tetrahydrobenzo[F]quinoline-3-carbonitrile](/api/spectrum/6ZBcshRTAbt/structure.png?h=300&w=458 "4-Benzoyl-1,2,3,4-tetrahydrobenzo[F]quinoline-3-carbonitrile")
