| SpectraBase Compound ID | 304WngvxSGS |
|---|---|
| InChI | InChI=1S/C12H14O4/c1-9(13)16-7-3-4-10-5-6-11(14)12(8-10)15-2/h3-6,8,14H,7H2,1-2H3 |
| InChIKey | XLZFUNZRKIQHOL-UHFFFAOYSA-N |
| Mol Weight | 222.24 g/mol |
| Molecular Formula | C12H14O4 |
| Exact Mass | 222.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LIXhmH6yIj2 |
|---|---|
| Name | (cis/Trans)-coniferyl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.089208927 u |
| Formula | C12H14O4 |
| InChI | InChI=1S/C12H14O4/c1-9(13)16-7-3-4-10-5-6-11(14)12(8-10)15-2/h3-6,8,14H,7H2,1-2H3 |
| InChIKey | XLZFUNZRKIQHOL-UHFFFAOYSA-N |
| Molecular Weight | 222.240 g/mol |
| SMILES | C1(=CC=C(C(=C1)OC)O)C=CCOC(C)=O |