| SpectraBase Compound ID | 1Xkkuc103sB |
|---|---|
| InChI | InChI=1S/C14H14O2/c1-13(15)16-12-8-3-2-5-9-14-10-6-4-7-11-14/h3-4,6-8,10-11H,2,12H2,1H3/b8-3+ |
| InChIKey | SXYMQTGZKURFTO-FPYGCLRLSA-N |
| Mol Weight | 214.26 g/mol |
| Molecular Formula | C14H14O2 |
| Exact Mass | 214.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D9tYQUpAYRO |
|---|---|
| Name | (E)-1-Phenyl-6-acetoxy-4-hexen-1-yne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.099379689 u |
| Formula | C14H14O2 |
| InChI | InChI=1S/C14H14O2/c1-13(15)16-12-8-3-2-5-9-14-10-6-4-7-11-14/h3-4,6-8,10-11H,2,12H2,1H3/b8-3+ |
| InChIKey | SXYMQTGZKURFTO-FPYGCLRLSA-N |
| Molecular Weight | 214.264 g/mol |
| SMILES | C(#CC\C=C\COC(=O)C)C=1C=CC=CC1 |