| SpectraBase Compound ID | FyGrIPWrS6t |
|---|---|
| InChI | InChI=1S/C12H14O2/c1-3-10(9-12(13)14-2)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3/t10-/m1/s1 |
| InChIKey | IFSXZCHDQCEJHG-SNVBAGLBSA-N |
| Mol Weight | 190.24 g/mol |
| Molecular Formula | C12H14O2 |
| Exact Mass | 190.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6eQjdkbrVUj |
|---|---|
| Name | (3S)-3-Phenyl-4-pentenoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.099379689 u |
| Formula | C12H14O2 |
| InChI | InChI=1S/C12H14O2/c1-3-10(9-12(13)14-2)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3/t10-/m1/s1 |
| InChIKey | IFSXZCHDQCEJHG-SNVBAGLBSA-N |
| Molecular Weight | 190.242 g/mol |
| SMILES | C(C[C@@](C=C)(C1=CC=CC=C1)[H])(=O)OC |