| SpectraBase Compound ID | 3yMQWUh3zji |
|---|---|
| InChI | InChI=1S/C14H20O3/c1-4-10-14(2,13(15)16-3)17-11-12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3 |
| InChIKey | PWCXWLSMWPYWJC-UHFFFAOYSA-N |
| Mol Weight | 236.31 g/mol |
| Molecular Formula | C14H20O3 |
| Exact Mass | 236.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | d4oCYEafXL |
|---|---|
| Name | Pentanoic acid, 2-methyl-2-(phenylmethoxy)-, methyl ester, (.+-.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.141244501 u |
| Formula | C14H20O3 |
| InChI | InChI=1S/C14H20O3/c1-4-10-14(2,13(15)16-3)17-11-12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3 |
| InChIKey | PWCXWLSMWPYWJC-UHFFFAOYSA-N |
| Molecular Weight | 236.311 g/mol |
| SMILES | C(C(OCC1=CC=CC=C1)(CCC)C)(=O)OC |