| SpectraBase Compound ID | Ci9PLeqc4B4 |
|---|---|
| InChI | InChI=1S/C8H6N2O3/c9-5-6-13-8-4-2-1-3-7(8)10(11)12/h1-4H,6H2 |
| InChIKey | OQJUIZUOQYDUMZ-UHFFFAOYSA-N |
| Mol Weight | 178.15 g/mol |
| Molecular Formula | C8H6N2O3 |
| Exact Mass | 178.037842 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9b6W2BpfVnx |
|---|---|
| Name | (o-Nitrophenoxy)acetonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.037842058 u |
| Formula | C8H6N2O3 |
| InChI | InChI=1S/C8H6N2O3/c9-5-6-13-8-4-2-1-3-7(8)10(11)12/h1-4H,6H2 |
| InChIKey | OQJUIZUOQYDUMZ-UHFFFAOYSA-N |
| Molecular Weight | 178.147 g/mol |
| SMILES | N(=O)(=O)C=1C=CC=CC1OCC#N |
| Spectrum/Structure Validation Score (Raman) | 0.8124 |