![Thiocyanic acid 2-[(4-phenoxyphenyl)thio]ethyl ester](/api/spectrum/HvbCY4nJZFV/structure.png?h=300&w=458 "Thiocyanic acid 2-[(4-phenoxyphenyl)thio]ethyl ester")
| SpectraBase Compound ID | 7LbfVmw3EZ8 |
|---|---|
| InChI | InChI=1S/C15H13NOS2/c16-12-18-10-11-19-15-8-6-14(7-9-15)17-13-4-2-1-3-5-13/h1-9H,10-11H2 |
| InChIKey | VNYDSGRHBCWFED-UHFFFAOYSA-N |
| Mol Weight | 287.4 g/mol |
| Molecular Formula | C15H13NOS2 |
| Exact Mass | 287.043856 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HvbCY4nJZFV |
|---|---|
| Name | Thiocyanic acid 2-[(4-phenoxyphenyl)thio]ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.043856390 u |
| Formula | C15H13NOS2 |
| InChI | InChI=1S/C15H13NOS2/c16-12-18-10-11-19-15-8-6-14(7-9-15)17-13-4-2-1-3-5-13/h1-9H,10-11H2 |
| InChIKey | VNYDSGRHBCWFED-UHFFFAOYSA-N |
| Molecular Weight | 287.395 g/mol |
| SMILES | C(CSC=1C=CC(=CC1)OC=1C=CC=CC1)SC#N |