| SpectraBase Compound ID | 2dCBxNVaXq4 |
|---|---|
| InChI | InChI=1S/C21H28OSe/c1-3-4-9-14-19(2)15-10-6-5-7-13-18-21(22)23-20-16-11-8-12-17-20/h3,5-6,8,11-12,14,16-17H,1,4,7,9-10,13,15,18H2,2H3/b6-5-,19-14+ |
| InChIKey | FSOMVHGFESXWOD-TXPGUNRISA-N |
| Mol Weight | 375.43 g/mol |
| Molecular Formula | C21H28OSe |
| Exact Mass | 376.130538 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3PAe6wTwD2I |
|---|---|
| Name | se-Phenyl (5Z,9E)-9-methyltetradeca-5,9,13-trieneselenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.130537521 u |
| Formula | C21H28OSe |
| InChI | InChI=1S/C21H28OSe/c1-3-4-9-14-19(2)15-10-6-5-7-13-18-21(22)23-20-16-11-8-12-17-20/h3,5-6,8,11-12,14,16-17H,1,4,7,9-10,13,15,18H2,2H3/b6-5-,19-14+ |
| InChIKey | FSOMVHGFESXWOD-TXPGUNRISA-N |
| Molecular Weight | 375.426 g/mol |
| SMILES | C([Se]C1=CC=CC=C1)(=O)CCC\C=C/CC\C(=C\CCC=C)C |