| SpectraBase Compound ID | 2aeuySbaitT |
|---|---|
| InChI | InChI=1S/C14H16O2/c1-12-8-10-13(11-9-12)6-4-3-5-7-14(15)16-2/h3-6,8-11H,7H2,1-2H3/b5-3+,6-4+ |
| InChIKey | SDXRQOVARPARGM-GGWOSOGESA-N |
| Mol Weight | 216.28 g/mol |
| Molecular Formula | C14H16O2 |
| Exact Mass | 216.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ICSXtDRUrpW |
|---|---|
| Name | (3E,5E)-6-(4-Methylphenyl)hexa-3,5-dienoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.115029753 u |
| Formula | C14H16O2 |
| InChI | InChI=1S/C14H16O2/c1-12-8-10-13(11-9-12)6-4-3-5-7-14(15)16-2/h3-6,8-11H,7H2,1-2H3/b5-3+,6-4+ |
| InChIKey | SDXRQOVARPARGM-GGWOSOGESA-N |
| Molecular Weight | 216.280 g/mol |
| SMILES | C(=O)(OC)C\C=C\C=C\C1=CC=C(C=C1)C |