| SpectraBase Compound ID | 2VxFV22XVR5 |
|---|---|
| InChI | InChI=1S/C14H18O3/c1-10-5-4-6-12(11(10)2)7-8-13(15)9-14(16)17-3/h4-6H,7-9H2,1-3H3 |
| InChIKey | QJYJPXZLRIMBHC-UHFFFAOYSA-N |
| Mol Weight | 234.29 g/mol |
| Molecular Formula | C14H18O3 |
| Exact Mass | 234.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5oRxthz6tdm |
|---|---|
| Name | Benzenepentanoic acid, 2,3-dimethyl-.beta.-oxo-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.125594437 u |
| Formula | C14H18O3 |
| InChI | InChI=1S/C14H18O3/c1-10-5-4-6-12(11(10)2)7-8-13(15)9-14(16)17-3/h4-6H,7-9H2,1-3H3 |
| InChIKey | QJYJPXZLRIMBHC-UHFFFAOYSA-N |
| Molecular Weight | 234.295 g/mol |
| SMILES | C(C(=O)OC)C(=O)CCC=1C(=C(C)C=CC1)C |