| SpectraBase Compound ID | 6mmdHMCW9JY |
|---|---|
| InChI | InChI=1S/C17H18O2/c1-2-19-17(18)16-12-10-15(11-13-16)9-8-14-6-4-3-5-7-14/h6,10-13H,2-5,7H2,1H3 |
| InChIKey | HHERQUPUTUSSHE-UHFFFAOYSA-N |
| Mol Weight | 254.33 g/mol |
| Molecular Formula | C17H18O2 |
| Exact Mass | 254.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GujnRpOtezv |
|---|---|
| Name | Ethyl 4-(cyclohex-1-enylethynyl)benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.130679818 u |
| Formula | C17H18O2 |
| InChI | InChI=1S/C17H18O2/c1-2-19-17(18)16-12-10-15(11-13-16)9-8-14-6-4-3-5-7-14/h6,10-13H,2-5,7H2,1H3 |
| InChIKey | HHERQUPUTUSSHE-UHFFFAOYSA-N |
| Molecular Weight | 254.329 g/mol |
| SMILES | C(#CC1=CC=C(C(=O)OCC)C=C1)C1=CCCCC1 |