| SpectraBase Compound ID | 1vxBWWqJUhf |
|---|---|
| InChI | InChI=1S/C16H22O3/c1-13(2)7-6-12-19-16(17)11-10-14-8-4-5-9-15(14)18-3/h4-5,8-11,13H,6-7,12H2,1-3H3/b11-10+ |
| InChIKey | XVOCUUVUEYQPHT-ZHACJKMWSA-N |
| Mol Weight | 262.35 g/mol |
| Molecular Formula | C16H22O3 |
| Exact Mass | 262.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | axx28QABnt |
|---|---|
| Name | Trans-2-methoxycinnamic acid, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.156894565 u |
| Formula | C16H22O3 |
| InChI | InChI=1S/C16H22O3/c1-13(2)7-6-12-19-16(17)11-10-14-8-4-5-9-15(14)18-3/h4-5,8-11,13H,6-7,12H2,1-3H3/b11-10+ |
| InChIKey | XVOCUUVUEYQPHT-ZHACJKMWSA-N |
| Molecular Weight | 262.349 g/mol |
| SMILES | C(OCCCC(C)C)(=O)\C=C\C1=C(OC)C=CC=C1 |