| SpectraBase Compound ID | G1UcdZ8RYlI |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-10(2)16-13(15)12(14)9-8-11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3 |
| InChIKey | ILZVHAZOAHPATJ-UHFFFAOYSA-N |
| Mol Weight | 222.28 g/mol |
| Molecular Formula | C13H18O3 |
| Exact Mass | 222.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I2KIBqWELAN |
|---|---|
| Name | Isopropyl 2-hydroxy-4-phenylbutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.125594437 u |
| Formula | C13H18O3 |
| InChI | InChI=1S/C13H18O3/c1-10(2)16-13(15)12(14)9-8-11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3 |
| InChIKey | ILZVHAZOAHPATJ-UHFFFAOYSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | C(OC(C)C)(=O)C(CCC=1C=CC=CC1)O |