| SpectraBase Spectrum ID |
CqlXghYNri9 |
| Name |
N-[4-[(6-Keto-9-nitro-5H-benzo[B][1,4]benzoxazepin-7-yl)oxy]phenyl]acetamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
405.096085209 u |
| Formula |
C21H15N3O6 |
| InChI |
InChI=1S/C21H15N3O6/c1-12(25)22-13-6-8-15(9-7-13)29-18-10-14(24(27)28)11-19-20(18)21(26)23-16-4-2-3-5-17(16)30-19/h2-11H,1H3,(H,22,25)(H,23,26) |
| InChIKey |
ZUJGMAISUQUDCR-UHFFFAOYSA-N |
| Molecular Weight |
405.366 g/mol |
| SMILES |
C1(C2=C(OC3=C(N1)C=CC=C3)C=C(N(=O)=O)C=C2OC1=CC=C(NC(=O)C)C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955477 |
![N-[4-[(6-keto-9-nitro-5H-benzo[b][1,4]benzoxazepin-7-yl)oxy]phenyl]acetamide](/api/spectrum/CqlXghYNri9/structure.png?h=300&w=458 "N-[4-[(6-keto-9-nitro-5H-benzo[b][1,4]benzoxazepin-7-yl)oxy]phenyl]acetamide")
