| SpectraBase Compound ID | Ikcz5UQcT5F |
|---|---|
| InChI | InChI=1S/C17H22O3/c1-5-6-9-16(11-13(2)3)20-17(18)14-8-7-10-15(12-14)19-4/h7-8,10,12-13,16H,5,11H2,1-4H3 |
| InChIKey | BTRQGPIQAUUDNO-UHFFFAOYSA-N |
| Mol Weight | 274.36 g/mol |
| Molecular Formula | C17H22O3 |
| Exact Mass | 274.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1URubww9EyX |
|---|---|
| Name | m-Anisic acid, 2-methyloct-5-yn-4-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.156894565 u |
| Formula | C17H22O3 |
| InChI | InChI=1S/C17H22O3/c1-5-6-9-16(11-13(2)3)20-17(18)14-8-7-10-15(12-14)19-4/h7-8,10,12-13,16H,5,11H2,1-4H3 |
| InChIKey | BTRQGPIQAUUDNO-UHFFFAOYSA-N |
| Molecular Weight | 274.360 g/mol |
| SMILES | C(=O)(OC(C#CCC)CC(C)C)C=1C=C(OC)C=CC1 |