| SpectraBase Compound ID | 7Jo87NHgXw4 |
|---|---|
| InChI | InChI=1S/C14H16O2/c1-11(2)9-10-12(3)16-14(15)13-7-5-4-6-8-13/h4-8,11-12H,1-3H3 |
| InChIKey | JULPYSCSUQGAHX-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 | 4MqJWp6gEVJ |
|---|---|
| Name | 5-Methylhex-3-yn-2-yl benzoate |
| 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/c1-11(2)9-10-12(3)16-14(15)13-7-5-4-6-8-13/h4-8,11-12H,1-3H3 |
| InChIKey | JULPYSCSUQGAHX-UHFFFAOYSA-N |
| Molecular Weight | 216.280 g/mol |
| SMILES | C(OC(C#CC(C)C)C)(=O)C1=CC=CC=C1 |