| SpectraBase Compound ID | JLTBLC37gFL |
|---|---|
| InChI | InChI=1S/C14H16O5/c1-3-9-18-14(16)19-12-7-6-11(5-4-8-15)10-13(12)17-2/h4-8,10H,3,9H2,1-2H3/b5-4+ |
| InChIKey | HHVBDHZASRKXCW-SNAWJCMRSA-N |
| Mol Weight | 264.28 g/mol |
| Molecular Formula | C14H16O5 |
| Exact Mass | 264.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FQbC35BBhRP |
|---|---|
| Name | 3-(4-(N-Propyloxycarbonyl)oxy-3-methoxyphenyl)-2-propenal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.099773610 u |
| Formula | C14H16O5 |
| InChI | InChI=1S/C14H16O5/c1-3-9-18-14(16)19-12-7-6-11(5-4-8-15)10-13(12)17-2/h4-8,10H,3,9H2,1-2H3/b5-4+ |
| InChIKey | HHVBDHZASRKXCW-SNAWJCMRSA-N |
| Molecular Weight | 264.277 g/mol |
| SMILES | C(\C=C\C1=CC(OC)=C(C=C1)OC(OCCC)=O)=O |