| SpectraBase Compound ID | JsbrzpqUWOc |
|---|---|
| InChI | InChI=1S/C16H15NO2S/c17-13-20-11-10-18-15-6-8-16(9-7-15)19-12-14-4-2-1-3-5-14/h1-9H,10-12H2 |
| InChIKey | YVCYAMALVNJBNE-UHFFFAOYSA-N |
| Mol Weight | 285.36 g/mol |
| Molecular Formula | C16H15NO2S |
| Exact Mass | 285.08235 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FeeHJvnSJRb |
|---|---|
| Name | 2-(4-Phenylmethoxyphenoxy)ethyl thiocyanate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.082349899 u |
| Formula | C16H15NO2S |
| InChI | InChI=1S/C16H15NO2S/c17-13-20-11-10-18-15-6-8-16(9-7-15)19-12-14-4-2-1-3-5-14/h1-9H,10-12H2 |
| InChIKey | YVCYAMALVNJBNE-UHFFFAOYSA-N |
| SMILES | C(#N)SCCOC=1C=CC(OCC2=CC=CC=C2)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.853314 |