| SpectraBase Compound ID | Bwwif1I1Ud1 |
|---|---|
| InChI | InChI=1S/C15H18O3Se/c1-2-18-14(16)11-7-4-8-12-15(17)19-13-9-5-3-6-10-13/h3,5-7,9-11H,2,4,8,12H2,1H3/b11-7+ |
| InChIKey | IRBCLYAVCOHMIU-YRNVUSSQSA-N |
| Mol Weight | 325.28 g/mol |
| Molecular Formula | C15H18O3Se |
| Exact Mass | 326.042116 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JsoBTAgyW98 |
|---|---|
| Name | (E)-se-Phenyl 6-ethoxycarbonylhex-5-enselenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.042116437 u |
| Formula | C15H18O3Se |
| InChI | InChI=1S/C15H18O3Se/c1-2-18-14(16)11-7-4-8-12-15(17)19-13-9-5-3-6-10-13/h3,5-7,9-11H,2,4,8,12H2,1H3/b11-7+ |
| InChIKey | IRBCLYAVCOHMIU-YRNVUSSQSA-N |
| Molecular Weight | 325.278 g/mol |
| SMILES | C([Se]C1=CC=CC=C1)(=O)CCC\C=C\C(=O)OCC |