| SpectraBase Compound ID | C7z1MU4rrc2 |
|---|---|
| InChI | InChI=1S/C9H7NS/c1-2-8-3-5-9(6-4-8)10-7-11/h2-6H,1H2 |
| InChIKey | VLYLPZIBVLBOLH-UHFFFAOYSA-N |
| Mol Weight | 161.22 g/mol |
| Molecular Formula | C9H7NS |
| Exact Mass | 161.02992 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 55bv7TJSId8 |
|---|---|
| Name | p-Vinylphenyl isothiocyanate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 161.029920403 u |
| Formula | C9H7NS |
| InChI | InChI=1S/C9H7NS/c1-2-8-3-5-9(6-4-8)10-7-11/h2-6H,1H2 |
| InChIKey | VLYLPZIBVLBOLH-UHFFFAOYSA-N |
| Molecular Weight | 161.222 g/mol |
| SMILES | C1=C(C=CC(=C1)C=C)N=C=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919054 |