| SpectraBase Compound ID | 1FueH1C47Gg |
|---|---|
| InChI | InChI=1S/C14H18O2/c1-4-16-14(15)10-7-12(3)13-8-5-11(2)6-9-13/h5-6,8-9H,3-4,7,10H2,1-2H3 |
| InChIKey | IGWHOJIPFNKSCE-UHFFFAOYSA-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 | DCdzRi2ADUG |
|---|---|
| Name | 4-Pentenoic acid, 4-(4-methylphenyl)-, ethyl ester |
| 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/c1-4-16-14(15)10-7-12(3)13-8-5-11(2)6-9-13/h5-6,8-9H,3-4,7,10H2,1-2H3 |
| InChIKey | IGWHOJIPFNKSCE-UHFFFAOYSA-N |
| Molecular Weight | 218.296 g/mol |
| SMILES | C(=O)(CCC(=C)C1=CC=C(C=C1)C)OCC |