| SpectraBase Spectrum ID |
JhVEykTu2qK |
| Name |
Dibenzo[B,F]oxepin-1-carboxamide, N-(4-chlorophenyl)-3-nitro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
392.056384603 u |
| Formula |
C21H13ClN2O4 |
| InChI |
InChI=1S/C21H13ClN2O4/c22-14-6-8-15(9-7-14)23-21(25)18-11-16(24(26)27)12-20-17(18)10-5-13-3-1-2-4-19(13)28-20/h1-12H,(H,23,25) |
| InChIKey |
ILXRXPLOIVWUOL-UHFFFAOYSA-N |
| Molecular Weight |
392.798 g/mol |
| SMILES |
C12=C(C=CC=3C(O2)=CC=CC3)C(=CC(=C1)N(=O)=O)C(=O)NC1=CC=C(C=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872278 |
![Dibenzo[b,f]oxepin-1-carboxamide, N-(4-chlorophenyl)-3-nitro-](/api/spectrum/JhVEykTu2qK/structure.png?h=300&w=458 "Dibenzo[b,f]oxepin-1-carboxamide, N-(4-chlorophenyl)-3-nitro-")
