| SpectraBase Compound ID | GWSYOEC08Lw |
|---|---|
| InChI | InChI=1S/C9H5Cl2NOS/c10-7-2-1-6(3-8(7)11)9(13)4-14-5-12/h1-3H,4H2 |
| InChIKey | UYJZWYUCKPXQEW-UHFFFAOYSA-N |
| Mol Weight | 246.11 g/mol |
| Molecular Formula | C9H5Cl2NOS |
| Exact Mass | 244.94689 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3EWGej8fPSK |
|---|---|
| Name | Thiocyanic acid, 3,4-dichlorophenacyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.946890358 u |
| Formula | C9H5Cl2NOS |
| InChI | InChI=1S/C9H5Cl2NOS/c10-7-2-1-6(3-8(7)11)9(13)4-14-5-12/h1-3H,4H2 |
| InChIKey | UYJZWYUCKPXQEW-UHFFFAOYSA-N |
| SMILES | C=1C(=CC=C(C1Cl)Cl)C(CSC#N)=O |
| Spectrum/Structure Validation Score (Raman) | 0.803425 |