| SpectraBase Compound ID | DDDUSo53jRG |
|---|---|
| InChI | InChI=1S/C14H16O4/c1-10(15)13(9-18-11(2)16)8-12-4-6-14(17-3)7-5-12/h4-8H,9H2,1-3H3/b13-8+ |
| InChIKey | WEWKDHRWDPNVHG-MDWZMJQESA-N |
| Mol Weight | 248.28 g/mol |
| Molecular Formula | C14H16O4 |
| Exact Mass | 248.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7xD4ipBxLnb |
|---|---|
| Name | (E)-3-Acetoxymethyl-4-(4'-methoxyphenyl)-3-buten-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.104858991 u |
| Formula | C14H16O4 |
| InChI | InChI=1S/C14H16O4/c1-10(15)13(9-18-11(2)16)8-12-4-6-14(17-3)7-5-12/h4-8H,9H2,1-3H3/b13-8+ |
| InChIKey | WEWKDHRWDPNVHG-MDWZMJQESA-N |
| Molecular Weight | 248.278 g/mol |
| SMILES | CC(\C(=C\C1=CC=C(C=C1)OC)COC(=O)C)=O |