| SpectraBase Compound ID | Ke9dyjccQK1 |
|---|---|
| InChI | InChI=1S/C13H16O2/c1-10(2)12(9-13(14)15-3)11-7-5-4-6-8-11/h4-10H,1-3H3/b12-9+ |
| InChIKey | RGSAQUTVOAUHKK-FMIVXFBMSA-N |
| Mol Weight | 204.27 g/mol |
| Molecular Formula | C13H16O2 |
| Exact Mass | 204.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 35kpwcCsYgy |
|---|---|
| Name | Methyl 3-phenyl-4-methyl-2-pentenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.115029753 u |
| Formula | C13H16O2 |
| InChI | InChI=1S/C13H16O2/c1-10(2)12(9-13(14)15-3)11-7-5-4-6-8-11/h4-10H,1-3H3/b12-9+ |
| InChIKey | RGSAQUTVOAUHKK-FMIVXFBMSA-N |
| Molecular Weight | 204.269 g/mol |
| SMILES | C(\C=C\(C=1C=CC=CC1)C(C)C)(=O)OC |