| SpectraBase Compound ID | FF3d1LMRiv2 |
|---|---|
| InChI | InChI=1S/C17H22O3/c1-3-20-16(18)11-7-8-13-17(2,19)14-12-15-9-5-4-6-10-15/h4-6,9-10,19H,3,7-8,11,13H2,1-2H3 |
| InChIKey | MIKCSPWZYBBGGS-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 | 9G7imSX4LQM |
|---|---|
| Name | 6-Hydroxy-6-methyl-8-phenyl-7-octynoic acid ethyl 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/c1-3-20-16(18)11-7-8-13-17(2,19)14-12-15-9-5-4-6-10-15/h4-6,9-10,19H,3,7-8,11,13H2,1-2H3 |
| InChIKey | MIKCSPWZYBBGGS-UHFFFAOYSA-N |
| Molecular Weight | 274.360 g/mol |
| SMILES | C(#CC=1C=CC=CC1)C(O)(CCCCC(=O)OCC)C |