| SpectraBase Compound ID | Cts1zqNzCsF |
|---|---|
| InChI | InChI=1S/C14H18O2/c1-3-4-11-16-14(15)10-9-13-7-5-12(2)6-8-13/h5-10H,3-4,11H2,1-2H3/b10-9+ |
| InChIKey | HSZFATWQHNKARJ-MDZDMXLPSA-N |
| Mol Weight | 218.3 g/mol |
| Molecular Formula | C14H18O2 |
| Exact Mass | 218.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GG4z1hXx5Ub |
|---|---|
| Name | Butyl (E)-4-methylcinnamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.130679818 u |
| Formula | C14H18O2 |
| InChI | InChI=1S/C14H18O2/c1-3-4-11-16-14(15)10-9-13-7-5-12(2)6-8-13/h5-10H,3-4,11H2,1-2H3/b10-9+ |
| InChIKey | HSZFATWQHNKARJ-MDZDMXLPSA-N |
| Molecular Weight | 218.296 g/mol |
| SMILES | C(\C=C\C=1C=CC(=CC1)C)(=O)OCCCC |