| SpectraBase Compound ID | GwFGvYmCCfo |
|---|---|
| InChI | InChI=1S/C17H16O4/c1-20-16-12-13(9-10-15(16)18)6-5-11-21-17(19)14-7-3-2-4-8-14/h2-10,12,18H,11H2,1H3/b6-5+ |
| InChIKey | LAAPRQODJPXAHC-AATRIKPKSA-N |
| Mol Weight | 284.31 g/mol |
| Molecular Formula | C17H16O4 |
| Exact Mass | 284.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FAxDfyRQorv |
|---|---|
| Name | (Trans)-coniferyl alcohol - benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.104858991 u |
| Formula | C17H16O4 |
| InChI | InChI=1S/C17H16O4/c1-20-16-12-13(9-10-15(16)18)6-5-11-21-17(19)14-7-3-2-4-8-14/h2-10,12,18H,11H2,1H3/b6-5+ |
| InChIKey | LAAPRQODJPXAHC-AATRIKPKSA-N |
| SMILES | C(=O)(C1=CC=CC=C1)OC\C=C\C=1C=C(OC)C(=CC1)O |