| SpectraBase Compound ID | B3NHWB9P3y0 |
|---|---|
| InChI | InChI=1S/C14H18O3/c1-14(2,13(16)17-3)12(15)10-9-11-7-5-4-6-8-11/h4-10,12,15H,1-3H3/b10-9+ |
| InChIKey | LOTIFVYNXBIRHU-MDZDMXLPSA-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 | BibRmB2VWko |
|---|---|
| Name | (E)-3-Hydroxy-2,2-dimethyl-5-phenyl-4-pentenoic acid 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/c1-14(2,13(16)17-3)12(15)10-9-11-7-5-4-6-8-11/h4-10,12,15H,1-3H3/b10-9+ |
| InChIKey | LOTIFVYNXBIRHU-MDZDMXLPSA-N |
| Molecular Weight | 234.295 g/mol |
| SMILES | C(C(=O)OC)(C(\C=C\C=1C=CC=CC1)O)(C)C |