| SpectraBase Compound ID | 6WO5rx1p3Sa |
|---|---|
| InChI | InChI=1S/C13H18O2/c1-13(2,10-12(14)15-3)9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3 |
| InChIKey | QAARVDJMRCSXNU-UHFFFAOYSA-N |
| Mol Weight | 206.28 g/mol |
| Molecular Formula | C13H18O2 |
| Exact Mass | 206.13068 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 | GRTuouNCCP6 |
|---|---|
| Name | Methyl 3,3-dimethyl-4-phenylbutanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.130679818 u |
| Formula | C13H18O2 |
| InChI | InChI=1S/C13H18O2/c1-13(2,10-12(14)15-3)9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3 |
| InChIKey | QAARVDJMRCSXNU-UHFFFAOYSA-N |
| Molecular Weight | 206.285 g/mol |
| SMILES | C(=O)(CC(CC=1C=CC=CC1)(C)C)OC |