| SpectraBase Compound ID | HodoQAyfHs3 |
|---|---|
| InChI | InChI=1S/C17H24O3/c1-3-4-5-6-9-14-20-17(18)13-12-15-10-7-8-11-16(15)19-2/h7-8,10-13H,3-6,9,14H2,1-2H3/b13-12+ |
| InChIKey | GUICXEKDDPFCNW-OUKQBFOZSA-N |
| Mol Weight | 276.38 g/mol |
| Molecular Formula | C17H24O3 |
| Exact Mass | 276.172545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ItC3Alv1DJ0 |
|---|---|
| Name | Trans-2-methoxycinnamic acid, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.172544630 u |
| Formula | C17H24O3 |
| InChI | InChI=1S/C17H24O3/c1-3-4-5-6-9-14-20-17(18)13-12-15-10-7-8-11-16(15)19-2/h7-8,10-13H,3-6,9,14H2,1-2H3/b13-12+ |
| InChIKey | GUICXEKDDPFCNW-OUKQBFOZSA-N |
| SMILES | C(OCCCCCCC)(=O)\C=C\C1=C(OC)C=CC=C1 |