| SpectraBase Compound ID | CMOUmZweYX0 |
|---|---|
| InChI | InChI=1S/C16H15NOS/c17-13-19-11-10-18-16-8-6-15(7-9-16)12-14-4-2-1-3-5-14/h1-9H,10-12H2 |
| InChIKey | NAGNRVGRGUQKMV-UHFFFAOYSA-N |
| Mol Weight | 269.36 g/mol |
| Molecular Formula | C16H15NOS |
| Exact Mass | 269.087435 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5dzJiMc6e24 |
|---|---|
| Name | 2-(4-Benzylphenoxy)ethyl thiocyanate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.087435280 u |
| Formula | C16H15NOS |
| InChI | InChI=1S/C16H15NOS/c17-13-19-11-10-18-16-8-6-15(7-9-16)12-14-4-2-1-3-5-14/h1-9H,10-12H2 |
| InChIKey | NAGNRVGRGUQKMV-UHFFFAOYSA-N |
| Molecular Weight | 269.362 g/mol |
| SMILES | C(COC=1C=CC(=CC1)CC=1C=CC=CC1)SC#N |