| SpectraBase Spectrum ID |
3DoYaSFBmO5 |
| Name |
5A,6,7,8,9,10-Hexahydro-5H-azepino[2,1-B]quinazolin-12-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
216.126263142 u |
| Formula |
C13H16N2O |
| InChI |
InChI=1S/C13H16N2O/c16-13-10-6-3-4-7-11(10)14-12-8-2-1-5-9-15(12)13/h3-4,6-7,12,14H,1-2,5,8-9H2 |
| InChIKey |
KNPFCIQCLDTMEY-UHFFFAOYSA-N |
| Molecular Weight |
216.284 g/mol |
| SMILES |
C12NC=3C=CC=CC3C(N2CCCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.857861 |
![5a,6,7,8,9,10-hexahydro-5H-azepino[2,1-b]quinazolin-12-one](/api/spectrum/3DoYaSFBmO5/structure.png?h=300&w=458 "5a,6,7,8,9,10-hexahydro-5H-azepino[2,1-b]quinazolin-12-one")
