| SpectraBase Compound ID | 2yLCaI2ZROA |
|---|---|
| InChI | InChI=1S/C17H22O2/c1-3-4-5-6-7-11-14-17(19-15(2)18)16-12-9-8-10-13-16/h8-10,12-13,17H,3-7H2,1-2H3 |
| InChIKey | JBJCHMNFBQLYDZ-UHFFFAOYSA-N |
| Mol Weight | 258.36 g/mol |
| Molecular Formula | C17H22O2 |
| Exact Mass | 258.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2ikgzL8YMH1 |
|---|---|
| Name | (1-Phenylnon-2-ynyl) acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.161979946 u |
| Formula | C17H22O2 |
| InChI | InChI=1S/C17H22O2/c1-3-4-5-6-7-11-14-17(19-15(2)18)16-12-9-8-10-13-16/h8-10,12-13,17H,3-7H2,1-2H3 |
| InChIKey | JBJCHMNFBQLYDZ-UHFFFAOYSA-N |
| Molecular Weight | 258.361 g/mol |
| SMILES | C(C)(=O)OC(C#CCCCCCC)C=1C=CC=CC1 |