| SpectraBase Compound ID | BI1vhth06g1 |
|---|---|
| InChI | InChI=1S/C19H28O3/c1-18(2,3)16(20)12-15(14-10-8-7-9-11-14)13-17(21)22-19(4,5)6/h7-11,15H,12-13H2,1-6H3 |
| InChIKey | AACCQNPWMCIHRW-UHFFFAOYSA-N |
| Mol Weight | 304.43 g/mol |
| Molecular Formula | C19H28O3 |
| Exact Mass | 304.203845 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 | 7KjTU7CjgKv |
|---|---|
| Name | 5-Keto-6,6-dimethyl-3-phenyl-enanthic acid tert-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.203844759 u |
| Formula | C19H28O3 |
| InChI | InChI=1S/C19H28O3/c1-18(2,3)16(20)12-15(14-10-8-7-9-11-14)13-17(21)22-19(4,5)6/h7-11,15H,12-13H2,1-6H3 |
| InChIKey | AACCQNPWMCIHRW-UHFFFAOYSA-N |
| Molecular Weight | 304.430 g/mol |
| SMILES | C(CC(CC(C(C)(C)C)=O)C=1C=CC=CC1)(=O)OC(C)(C)C |