| SpectraBase Spectrum ID |
C5iB2H6nHH0 |
| Name |
7-Nitro-9-(p-tolylsulfanyl)-5H-benzo[B][1,4]benzoxazepin-6-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.067428109 u |
| Formula |
C20H14N2O4S |
| InChI |
InChI=1S/C20H14N2O4S/c1-12-6-8-13(9-7-12)27-14-10-16(22(24)25)19-18(11-14)26-17-5-3-2-4-15(17)21-20(19)23/h2-11H,1H3,(H,21,23) |
| InChIKey |
XGPRFUOBCRTFMW-UHFFFAOYSA-N |
| Molecular Weight |
378.402 g/mol |
| SMILES |
C=12OC=3C(C(NC2=CC=CC1)=O)=C(C=C(C3)SC=1C=CC(=CC1)C)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841231 |
![7-Nitro-9-(p-tolylsulfanyl)-5H-benzo[b][1,4]benzoxazepin-6-one](/api/spectrum/C5iB2H6nHH0/structure.png?h=300&w=458 "7-Nitro-9-(p-tolylsulfanyl)-5H-benzo[b][1,4]benzoxazepin-6-one")
