| SpectraBase Compound ID | FHaa4sYFDAH |
|---|---|
| InChI | InChI=1S/C12H12O2Se/c1-14-12(13)9-5-6-10-15-11-7-3-2-4-8-11/h2-4,7-8H,5,9H2,1H3 |
| InChIKey | NUWAPLBXFYPTRC-UHFFFAOYSA-N |
| Mol Weight | 267.2 g/mol |
| Molecular Formula | C12H12O2Se |
| Exact Mass | 268.000252 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DC54DI7MTUA |
|---|---|
| Name | Methyl 5-(phenylseleno)pent-4-ynoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.000251624 u |
| Formula | C12H12O2Se |
| InChI | InChI=1S/C12H12O2Se/c1-14-12(13)9-5-6-10-15-11-7-3-2-4-8-11/h2-4,7-8H,5,9H2,1H3 |
| InChIKey | NUWAPLBXFYPTRC-UHFFFAOYSA-N |
| Molecular Weight | 267.198 g/mol |
| SMILES | C(CCC#C[Se]C=1C=CC=CC1)(=O)OC |