| SpectraBase Spectrum ID |
LWh1f2z7wSi |
| Name |
8-Chloro-1-(2-methylphenoxy)-3-nitrodibenzo[B,F][1,4]oxazepin-11(10H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.051299222 u |
| Formula |
C20H13ClN2O5 |
| InChI |
InChI=1S/C20H13ClN2O5/c1-11-4-2-3-5-15(11)27-17-9-13(23(25)26)10-18-19(17)20(24)22-14-8-12(21)6-7-16(14)28-18/h2-10H,1H3,(H,22,24) |
| InChIKey |
XTYHZMZALPGGMV-UHFFFAOYSA-N |
| Molecular Weight |
396.786 g/mol |
| SMILES |
C1(C=2C(OC=3C(N1)=CC(=CC3)Cl)=CC(N(=O)=O)=CC2OC1=C(C)C=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.893438 |
![8-Chloro-1-(2-methylphenoxy)-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one](/api/spectrum/LWh1f2z7wSi/structure.png?h=300&w=458 "8-Chloro-1-(2-methylphenoxy)-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one")
