| SpectraBase Compound ID | 4KtYVpheYBS |
|---|---|
| InChI | InChI=1S/C12H12O4/c1-9(14)16-11-6-5-10(4-3-7-13)8-12(11)15-2/h3-8H,1-2H3/b4-3+ |
| InChIKey | VEKAJHBFBMWJKI-ONEGZZNKSA-N |
| Mol Weight | 220.22 g/mol |
| Molecular Formula | C12H12O4 |
| Exact Mass | 220.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CgFLmm1g20L |
|---|---|
| Name | 4-Acetoxy-3-methoxycinnamaldehyde, predominantly trans |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.073558862 u |
| Formula | C12H12O4 |
| InChI | InChI=1S/C12H12O4/c1-9(14)16-11-6-5-10(4-3-7-13)8-12(11)15-2/h3-8H,1-2H3/b4-3+ |
| InChIKey | VEKAJHBFBMWJKI-ONEGZZNKSA-N |
| Molecular Weight | 220.224 g/mol |
| SMILES | C=1(OC(=O)C)C(=CC(\C=C\C=O)=CC1)OC |