| SpectraBase Compound ID | H7K4Ogji0Qo |
|---|---|
| InChI | InChI=1S/C9H8FNS/c1-7(11-6-12)8-2-4-9(10)5-3-8/h2-5,7H,1H3 |
| InChIKey | JXMBAXGHCKMDES-UHFFFAOYSA-N |
| Mol Weight | 181.23 g/mol |
| Molecular Formula | C9H8FNS |
| Exact Mass | 181.036149 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LhXQ3BnD5lJ |
|---|---|
| Name | 4-Fluoro-.alpha.-methylbenzyl isothiocyanate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.036148599 u |
| Formula | C9H8FNS |
| InChI | InChI=1S/C9H8FNS/c1-7(11-6-12)8-2-4-9(10)5-3-8/h2-5,7H,1H3 |
| InChIKey | JXMBAXGHCKMDES-UHFFFAOYSA-N |
| Molecular Weight | 181.228 g/mol |
| SMILES | C1(=CC=C(C=C1)F)C(N=C=S)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.840938 |