| SpectraBase Compound ID | 9tHsgAAkooG |
|---|---|
| InChI | InChI=1S/C7H5ClN2S/c8-6-3-5(11-4-9)1-2-7(6)10/h1-3H,10H2 |
| InChIKey | TZBOJMWJGHBCEV-UHFFFAOYSA-N |
| Mol Weight | 184.64 g/mol |
| Molecular Formula | C7H5ClN2S |
| Exact Mass | 183.986197 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DkGROCutd0e |
|---|---|
| Name | 4-Amino-3-chlorophenyl thiocyanate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 183.986197043 u |
| Formula | C7H5ClN2S |
| InChI | InChI=1S/C7H5ClN2S/c8-6-3-5(11-4-9)1-2-7(6)10/h1-3H,10H2 |
| InChIKey | TZBOJMWJGHBCEV-UHFFFAOYSA-N |
| Molecular Weight | 184.644 g/mol |
| SMILES | C1=C(C=CC(=C1Cl)N)SC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929864 |