![3-(Phenylseleno)prop-2-ynyl] benzoate](/api/spectrum/K0jeG6GOWFF/structure.png?h=300&w=458 "3-(Phenylseleno)prop-2-ynyl] benzoate")
| SpectraBase Compound ID | D3gOWySzKSW |
|---|---|
| InChI | InChI=1S/C16H12O2Se/c17-16(14-8-3-1-4-9-14)18-12-7-13-19-15-10-5-2-6-11-15/h1-6,8-11H,12H2 |
| InChIKey | PFPHZNZXVXTHMI-UHFFFAOYSA-N |
| Mol Weight | 315.24 g/mol |
| Molecular Formula | C16H12O2Se |
| Exact Mass | 316.000252 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K0jeG6GOWFF |
|---|---|
| Name | 3-(Phenylseleno)prop-2-ynyl] benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.000251624 u |
| Formula | C16H12O2Se |
| InChI | InChI=1S/C16H12O2Se/c17-16(14-8-3-1-4-9-14)18-12-7-13-19-15-10-5-2-6-11-15/h1-6,8-11H,12H2 |
| InChIKey | PFPHZNZXVXTHMI-UHFFFAOYSA-N |
| Molecular Weight | 315.242 g/mol |
| SMILES | C(#C[Se]C1=CC=CC=C1)COC(=O)C=1C=CC=CC1 |