| SpectraBase Compound ID | LTs6MGjcQi0 |
|---|---|
| InChI | InChI=1S/C14H16O5/c1-3-10-18-14(16)19-12-7-5-4-6-11(12)8-9-13(15)17-2/h4-9H,3,10H2,1-2H3/b9-8+ |
| InChIKey | LMXJZNZBLPNYLA-CMDGGOBGSA-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 | Io1cv7C0xL3 |
|---|---|
| Name | Trans-o-coumaric acid, o-(N-propyloxycarbonyl)-, methyl ester |
| 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/c1-3-10-18-14(16)19-12-7-5-4-6-11(12)8-9-13(15)17-2/h4-9H,3,10H2,1-2H3/b9-8+ |
| InChIKey | LMXJZNZBLPNYLA-CMDGGOBGSA-N |
| Molecular Weight | 264.277 g/mol |
| SMILES | C1(=CC=CC=C1\C=C\C(=O)OC)OC(OCCC)=O |