| SpectraBase Compound ID | 82jUlyXTgY3 |
|---|---|
| InChI | InChI=1S/C7H5N3O2/c8-5-9-6-1-3-7(4-2-6)10(11)12/h1-4,9H |
| InChIKey | JYESXCFBVNUOSJ-UHFFFAOYSA-N |
| Mol Weight | 163.14 g/mol |
| Molecular Formula | C7H5N3O2 |
| Exact Mass | 163.038176 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 | 3XSn0UBMjZ |
|---|---|
| Name | N-(4-Nitrophenyl)cyanamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 163.038176411 u |
| Formula | C7H5N3O2 |
| InChI | InChI=1S/C7H5N3O2/c8-5-9-6-1-3-7(4-2-6)10(11)12/h1-4,9H |
| InChIKey | JYESXCFBVNUOSJ-UHFFFAOYSA-N |
| SMILES | C=1C=C(NC#N)C=CC1[N+](=O)[O-] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.909591 |