| SpectraBase Compound ID | 4KbLnnmcNBg |
|---|---|
| InChI | InChI=1S/C15H22O2/c1-12(15(2,3)4)10-14(16)17-11-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3 |
| InChIKey | OXFXIIJDYOUAHA-UHFFFAOYSA-N |
| Mol Weight | 234.34 g/mol |
| Molecular Formula | C15H22O2 |
| Exact Mass | 234.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HV6iZf7bz87 |
|---|---|
| Name | Benzyl 3,4,4-trimethylpentanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.161979946 u |
| Formula | C15H22O2 |
| InChI | InChI=1S/C15H22O2/c1-12(15(2,3)4)10-14(16)17-11-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3 |
| InChIKey | OXFXIIJDYOUAHA-UHFFFAOYSA-N |
| Molecular Weight | 234.339 g/mol |
| SMILES | C(CC(C(C)(C)C)C)(=O)OCC=1C=CC=CC1 |