| SpectraBase Compound ID | 9YYCkR4eCjO |
|---|---|
| InChI | InChI=1S/C14H16O3/c1-11(17-12(2)15)10-14(16)9-8-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3/b9-8+/t11-/m1/s1 |
| InChIKey | VKSZSJXBPXHLSF-ANYFNZRUSA-N |
| Mol Weight | 232.28 g/mol |
| Molecular Formula | C14H16O3 |
| Exact Mass | 232.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2GlcRToqz1l |
|---|---|
| Name | (R)-(+)-acetic acid 1-methyl-3-oxo-5-phenyl-pent-4-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.109944372 u |
| Formula | C14H16O3 |
| InChI | InChI=1S/C14H16O3/c1-11(17-12(2)15)10-14(16)9-8-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3/b9-8+/t11-/m1/s1 |
| InChIKey | VKSZSJXBPXHLSF-ANYFNZRUSA-N |
| Molecular Weight | 232.279 g/mol |
| SMILES | C(C)(=O)O[C@@](CC(\C=C\C=1C=CC=CC1)=O)(C)[H] |