| SpectraBase Compound ID | FeQqngixI4Z |
|---|---|
| InChI | InChI=1S/C14H18O2/c1-11(2)9-12(3)14(15)16-10-13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3/b12-9+ |
| InChIKey | CWJJTNGZOOISQM-FMIVXFBMSA-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 | EnbZ6dlamth |
|---|---|
| Name | 2-Pentenoic acid, 2,4-dimethyl-, phenylmethyl ester, (E)- |
| 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/c1-11(2)9-12(3)14(15)16-10-13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3/b12-9+ |
| InChIKey | CWJJTNGZOOISQM-FMIVXFBMSA-N |
| Molecular Weight | 218.296 g/mol |
| SMILES | C(\C(=C\C(C)C)C)(OCC=1C=CC=CC1)=O |