| SpectraBase Spectrum ID |
IsybFUL04AT |
| Name |
1,3-Dinitrodibenzo[F]naphtho[2,1-B]-(1,4)-oxazepine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
335.054220397 u |
| Formula |
C17H9N3O5 |
| InChI |
InChI=1S/C17H9N3O5/c21-19(22)11-7-14(20(23)24)13-9-18-17-12-4-2-1-3-10(12)5-6-15(17)25-16(13)8-11/h1-9H |
| InChIKey |
MJWOGQSPWQMKLB-UHFFFAOYSA-N |
| Molecular Weight |
335.275 g/mol |
| SMILES |
C12=C(N(=O)=O)C=C(N(=O)=O)C=C2OC=2C=CC=3C(C2N=C1)=CC=CC3 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907126 |
![1,3-Dinitrodibenzo[f]naphtho[2,1-b]-(1,4)-oxazepine](/api/spectrum/IsybFUL04AT/structure.png?h=300&w=458 "1,3-Dinitrodibenzo[f]naphtho[2,1-b]-(1,4)-oxazepine")
