| SpectraBase Compound ID | K3WJXOB8yNW |
|---|---|
| InChI | InChI=1S/C8H6ClNO2/c9-8-4-2-1-3-7(8)5-6-10(11)12/h1-6H |
| InChIKey | QHKJTRDWAZGBLR-UHFFFAOYSA-N |
| Mol Weight | 183.59 g/mol |
| Molecular Formula | C8H6ClNO2 |
| Exact Mass | 183.008706 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Dbq4xQDU3j9 |
|---|---|
| Name | o-Chloro-beta-nitrostyrene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 183.008706135 u |
| Formula | C8H6ClNO2 |
| InChI | InChI=1S/C8H6ClNO2/c9-8-4-2-1-3-7(8)5-6-10(11)12/h1-6H |
| InChIKey | QHKJTRDWAZGBLR-UHFFFAOYSA-N |
| Molecular Weight | 183.594 g/mol |
| SMILES | C=1C=CC=C(C1Cl)C=CN(=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.936771 |