| SpectraBase Compound ID | 48AWv77eDWr |
|---|---|
| InChI | InChI=1S/C9H6ClNOS/c10-8-3-1-7(2-4-8)9(12)5-13-6-11/h1-4H,5H2 |
| InChIKey | JSIQRJQKMVTGJN-UHFFFAOYSA-N |
| Mol Weight | 211.67 g/mol |
| Molecular Formula | C9H6ClNOS |
| Exact Mass | 210.985863 g/mol |
Raman Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KlpsOSltScA |
|---|---|
| Name | Thiocyanic acid, p-chlorophenacyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.985862690 u |
| Formula | C9H6ClNOS |
| InChI | InChI=1S/C9H6ClNOS/c10-8-3-1-7(2-4-8)9(12)5-13-6-11/h1-4H,5H2 |
| InChIKey | JSIQRJQKMVTGJN-UHFFFAOYSA-N |
| Molecular Weight | 211.666 g/mol |
| SMILES | C=1C(=CC=C(C1)Cl)C(CSC#N)=O |
| Spectrum/Structure Validation Score (Raman) | 0.935776 |