| SpectraBase Spectrum ID |
5mKVf5pnfHy |
| Name |
3-Butyl-2,3-dihydro-5-phenyl-2-thioxo-1H-imidazo[4,5-C]quinolin-4(5H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
349.124883417 u |
| Formula |
C20H19N3OS |
| InChI |
InChI=1S/C20H19N3OS/c1-2-3-13-22-18-17(21-20(22)25)15-11-7-8-12-16(15)23(19(18)24)14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3,(H,21,25) |
| InChIKey |
TXSYHVFNPZIBIC-UHFFFAOYSA-N |
| Molecular Weight |
349.452 g/mol |
| SMILES |
C12=C(NC(N2CCCC)=S)C=2C=CC=CC2N(C1=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904747 |
![3-Butyl-2,3-dihydro-5-phenyl-2-thioxo-1H-imidazo[4,5-c]quinolin-4(5H)-one](/api/spectrum/5mKVf5pnfHy/structure.png?h=300&w=458 "3-Butyl-2,3-dihydro-5-phenyl-2-thioxo-1H-imidazo[4,5-c]quinolin-4(5H)-one")
