| SpectraBase Compound ID | IDpe82RPbbR |
|---|---|
| InChI | InChI=1S/C14H16O2/c1-3-4-5-6-7-13-8-10-14(11-9-13)16-12(2)15/h8-11H,3-5H2,1-2H3 |
| InChIKey | SUINTHMIHGIDOP-UHFFFAOYSA-N |
| Mol Weight | 216.28 g/mol |
| Molecular Formula | C14H16O2 |
| Exact Mass | 216.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FH3nA5DKpGC |
|---|---|
| Name | 4-(hex-1-yn-1-yl)Phenyl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.115029753 u |
| Formula | C14H16O2 |
| InChI | InChI=1S/C14H16O2/c1-3-4-5-6-7-13-8-10-14(11-9-13)16-12(2)15/h8-11H,3-5H2,1-2H3 |
| InChIKey | SUINTHMIHGIDOP-UHFFFAOYSA-N |
| Molecular Weight | 216.280 g/mol |
| SMILES | C1=C(C#CCCCC)C=CC(=C1)OC(C)=O |