| SpectraBase Compound ID | 2pO5dkXDyX1 |
|---|---|
| InChI | InChI=1S/C13H16O3/c1-13(2,3)9-16-12(15)11(14)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3 |
| InChIKey | UQZYEQXZUOGYDU-UHFFFAOYSA-N |
| Mol Weight | 220.27 g/mol |
| Molecular Formula | C13H16O3 |
| Exact Mass | 220.109944 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 | AleFFBopX2F |
|---|---|
| Name | Phenylglyoxylic acid, neopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.109944372 u |
| Formula | C13H16O3 |
| InChI | InChI=1S/C13H16O3/c1-13(2,3)9-16-12(15)11(14)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3 |
| InChIKey | UQZYEQXZUOGYDU-UHFFFAOYSA-N |
| Molecular Weight | 220.268 g/mol |
| SMILES | C1=CC=CC(=C1)C(C(OCC(C)(C)C)=O)=O |