| SpectraBase Compound ID | BXR8h6dvE0A |
|---|---|
| InChI | InChI=1S/C13H9ClN2O3/c14-10-2-1-3-11(8-10)15-13(17)9-4-6-12(7-5-9)16(18)19/h1-8H,(H,15,17) |
| InChIKey | KVVNRXNSICWUSG-UHFFFAOYSA-N |
| Mol Weight | 276.68 g/mol |
| Molecular Formula | C13H9ClN2O3 |
| Exact Mass | 276.03017 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3Yq4UI5yxZh |
|---|---|
| Name | Benzamide, N-(3-chlorophenyl)-4-nitro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.030169855 u |
| Formula | C13H9ClN2O3 |
| InChI | InChI=1S/C13H9ClN2O3/c14-10-2-1-3-11(8-10)15-13(17)9-4-6-12(7-5-9)16(18)19/h1-8H,(H,15,17) |
| InChIKey | KVVNRXNSICWUSG-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC(=C1)C(NC1=CC(=CC=C1)Cl)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.838992 |