| SpectraBase Compound ID | Gzl5iNZyD5R |
|---|---|
| InChI | InChI=1S/C7H3ClFNS/c8-6-3-5(10-4-11)1-2-7(6)9/h1-3H |
| InChIKey | BUVRIIKIGKFOKD-UHFFFAOYSA-N |
| Mol Weight | 187.62 g/mol |
| Molecular Formula | C7H3ClFNS |
| Exact Mass | 186.965876 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EPJfC8hufMz |
|---|---|
| Name | 3-Chloro-4-fluorophenyl isothiocyanate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.965876138 u |
| Formula | C7H3ClFNS |
| InChI | InChI=1S/C7H3ClFNS/c8-6-3-5(10-4-11)1-2-7(6)9/h1-3H |
| InChIKey | BUVRIIKIGKFOKD-UHFFFAOYSA-N |
| Molecular Weight | 187.619 g/mol |
| SMILES | C1(N=C=S)=CC(=C(C=C1)F)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.897831 |