| SpectraBase Compound ID | IPteQ7zW9Ep |
|---|---|
| InChI | InChI=1S/C18H22O3/c1-13(2)10-11-15(12-14(3)4)21-18(19)16-8-6-7-9-17(16)20-5/h6-9,14-15H,1,12H2,2-5H3 |
| InChIKey | RFNVYHICALRKJN-UHFFFAOYSA-N |
| Mol Weight | 286.37 g/mol |
| Molecular Formula | C18H22O3 |
| Exact Mass | 286.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6vCbY4N3kkc |
|---|---|
| Name | o-Anisic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.156894565 u |
| Formula | C18H22O3 |
| InChI | InChI=1S/C18H22O3/c1-13(2)10-11-15(12-14(3)4)21-18(19)16-8-6-7-9-17(16)20-5/h6-9,14-15H,1,12H2,2-5H3 |
| InChIKey | RFNVYHICALRKJN-UHFFFAOYSA-N |
| SMILES | C(=O)(OC(C#CC(C)=C)CC(C)C)C=1C(OC)=CC=CC1 |