| SpectraBase Spectrum ID |
3dEgzAQKBSd |
| Name |
5-Methyl-3-nitro-6A,7,12,13-tetrahydroquinoxalino[2,1-B][3]benzazepin-6(5H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
323.126991416 u |
| Formula |
C18H17N3O3 |
| InChI |
InChI=1S/C18H17N3O3/c1-19-16-11-14(21(23)24)6-7-15(16)20-9-8-12-4-2-3-5-13(12)10-17(20)18(19)22/h2-7,11,17H,8-10H2,1H3 |
| InChIKey |
DJBBSUNNZHQEJI-UHFFFAOYSA-N |
| Molecular Weight |
323.352 g/mol |
| SMILES |
C12N(C=3C=CC(=CC3N(C2=O)C)N(=O)=O)CCC=2C(C1)=CC=CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872605 |
![5-Methyl-3-nitro-6a,7,12,13-tetrahydroquinoxalino[2,1-b][3]benzazepin-6(5H)-one](/api/spectrum/3dEgzAQKBSd/structure.png?h=300&w=458 "5-Methyl-3-nitro-6a,7,12,13-tetrahydroquinoxalino[2,1-b][3]benzazepin-6(5H)-one")
