| SpectraBase Compound ID | JxA8I1YTyMp |
|---|---|
| InChI | InChI=1S/C12H14Se/c1-2-3-4-8-11-13-12-9-6-5-7-10-12/h5-7,9-10H,2-4H2,1H3 |
| InChIKey | NXERMBBWEMLZMW-UHFFFAOYSA-N |
| Mol Weight | 237.22 g/mol |
| Molecular Formula | C12H14Se |
| Exact Mass | 238.026072 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IeNPbPewuug |
|---|---|
| Name | hex-1-Ynylselanylbenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.026072451 u |
| Formula | C12H14Se |
| InChI | InChI=1S/C12H14Se/c1-2-3-4-8-11-13-12-9-6-5-7-10-12/h5-7,9-10H,2-4H2,1H3 |
| InChIKey | NXERMBBWEMLZMW-UHFFFAOYSA-N |
| Molecular Weight | 237.216 g/mol |
| SMILES | C1(=CC=CC=C1)[Se]C#CCCCC |