| SpectraBase Compound ID | 3aOCJhSQnco |
|---|---|
| InChI | InChI=1S/C15H18O6/c1-4-9-20-15(17)21-13-10-11(5-7-12(13)18-2)6-8-14(16)19-3/h5-8,10H,4,9H2,1-3H3/b8-6+ |
| InChIKey | QKGAGGQJRZYFIX-SOFGYWHQSA-N |
| Mol Weight | 294.3 g/mol |
| Molecular Formula | C15H18O6 |
| Exact Mass | 294.110338 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lmso1Rm4HPm |
|---|---|
| Name | Trans-3-(N-propyloxycarbonyl)oxy-4-methoxycinnamic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.110338294 u |
| Formula | C15H18O6 |
| InChI | InChI=1S/C15H18O6/c1-4-9-20-15(17)21-13-10-11(5-7-12(13)18-2)6-8-14(16)19-3/h5-8,10H,4,9H2,1-3H3/b8-6+ |
| InChIKey | QKGAGGQJRZYFIX-SOFGYWHQSA-N |
| SMILES | C1=C(C=CC(=C1OC(OCCC)=O)OC)\C=C\C(OC)=O |