| SpectraBase Compound ID | 71moIQCcAU4 |
|---|---|
| InChI | InChI=1S/C18H28O2Se/c19-16-12-7-5-3-1-2-4-6-11-15-18(20)21-17-13-9-8-10-14-17/h8-10,13-14,19H,1-7,11-12,15-16H2 |
| InChIKey | JNOTXZXTGNTKGG-UHFFFAOYSA-N |
| Mol Weight | 355.39 g/mol |
| Molecular Formula | C18H28O2Se |
| Exact Mass | 356.125452 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 38Y8kMNVyF6 |
|---|---|
| Name | Dodecaneselenoic acid, 12-hydroxy-, se-phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.125452140 u |
| Formula | C18H28O2Se |
| InChI | InChI=1S/C18H28O2Se/c19-16-12-7-5-3-1-2-4-6-11-15-18(20)21-17-13-9-8-10-14-17/h8-10,13-14,19H,1-7,11-12,15-16H2 |
| InChIKey | JNOTXZXTGNTKGG-UHFFFAOYSA-N |
| Molecular Weight | 355.392 g/mol |
| SMILES | C([Se]C1=CC=CC=C1)(=O)CCCCCCCCCCCO |