| SpectraBase Compound ID | 4rC015a2G08 |
|---|---|
| InChI | InChI=1S/C15H20O3/c1-12(2)10-11-18-15(16)9-6-13-4-7-14(17-3)8-5-13/h4-9,12H,10-11H2,1-3H3/b9-6+ |
| InChIKey | UBNYRXMKIIGMKK-RMKNXTFCSA-N |
| Mol Weight | 248.32 g/mol |
| Molecular Formula | C15H20O3 |
| Exact Mass | 248.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2AX3KvbXj41 |
|---|---|
| Name | (E)-3-(4-Methoxyphenyl)-2-propenoic acid 3-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.141244501 u |
| Formula | C15H20O3 |
| InChI | InChI=1S/C15H20O3/c1-12(2)10-11-18-15(16)9-6-13-4-7-14(17-3)8-5-13/h4-9,12H,10-11H2,1-3H3/b9-6+ |
| InChIKey | UBNYRXMKIIGMKK-RMKNXTFCSA-N |
| Molecular Weight | 248.322 g/mol |
| SMILES | C(\C=C\C=1C=CC(=CC1)OC)(=O)OCCC(C)C |