| SpectraBase Compound ID | KMJEnrSwn2Z |
|---|---|
| InChI | InChI=1S/C16H18O6/c1-3-21-14(17)10-15(18)22-11-13(16(19)20-2)9-12-7-5-4-6-8-12/h4-9H,3,10-11H2,1-2H3/b13-9- |
| InChIKey | NIGZKRZWVZIYRN-LCYFTJDESA-N |
| Mol Weight | 306.31 g/mol |
| Molecular Formula | C16H18O6 |
| Exact Mass | 306.110338 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BqpBIAAQ4xw |
|---|---|
| Name | 3-(Phenyl)-2-methoxycarbonyl-2-propen-1-yl .alpha.-ethoxycarbonylacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.110338294 u |
| Formula | C16H18O6 |
| InChI | InChI=1S/C16H18O6/c1-3-21-14(17)10-15(18)22-11-13(16(19)20-2)9-12-7-5-4-6-8-12/h4-9H,3,10-11H2,1-2H3/b13-9- |
| InChIKey | NIGZKRZWVZIYRN-LCYFTJDESA-N |
| SMILES | C(\C(=C/C=1C=CC=CC1)COC(CC(=O)OCC)=O)(=O)OC |