| SpectraBase Spectrum ID |
6zGMKeLJ1ce |
| Name |
6A,7,8,9,10,11- Hexahydro-azepino[1,2-A]quinazolin-6-oxide |
| 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/c16-15-10-11-6-3-4-7-12(11)14-9-5-1-2-8-13(14)15/h3-4,6-7,10,13H,1-2,5,8-9H2 |
| InChIKey |
YSBFSJLDLNDZRT-UHFFFAOYSA-N |
| Molecular Weight |
216.284 g/mol |
| SMILES |
C12N(C=3C=CC=CC3C=[N+]2[O-])CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871892 |
![6a,7,8,9,10,11- Hexahydro-azepino[1,2-a]quinazolin-6-oxide](/api/spectrum/6zGMKeLJ1ce/structure.png?h=300&w=458 "6a,7,8,9,10,11- Hexahydro-azepino[1,2-a]quinazolin-6-oxide")
