| SpectraBase Compound ID | CiTNjsJws7u |
|---|---|
| InChI | InChI=1S/C15H16O2/c1-2-15(11-7-4-8-12-15)17-14(16)13-9-5-3-6-10-13/h1,3,5-6,9-10H,4,7-8,11-12H2 |
| InChIKey | PSCIBDKASFWWDB-UHFFFAOYSA-N |
| Mol Weight | 228.29 g/mol |
| Molecular Formula | C15H16O2 |
| Exact Mass | 228.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HsBvROvA1pj |
|---|---|
| Name | (1-Ethynylcyclohexyl) benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.115029753 u |
| Formula | C15H16O2 |
| InChI | InChI=1S/C15H16O2/c1-2-15(11-7-4-8-12-15)17-14(16)13-9-5-3-6-10-13/h1,3,5-6,9-10H,4,7-8,11-12H2 |
| InChIKey | PSCIBDKASFWWDB-UHFFFAOYSA-N |
| Molecular Weight | 228.291 g/mol |
| SMILES | C1CCC(OC(=O)C2=CC=CC=C2)(CC1)C#C |