| SpectraBase Compound ID | 2BKtBzXrX35 |
|---|---|
| InChI | InChI=1S/C14H16O5/c1-3-10-18-13(15)8-9-14(16)19-12-6-4-11(17-2)5-7-12/h4-9H,3,10H2,1-2H3/b9-8+ |
| InChIKey | MBCHOKNUCQILHG-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 | LUVnTgDeDeT |
|---|---|
| Name | Fumaric acid, 4-methoxyphenyl propyl 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/c1-3-10-18-13(15)8-9-14(16)19-12-6-4-11(17-2)5-7-12/h4-9H,3,10H2,1-2H3/b9-8+ |
| InChIKey | MBCHOKNUCQILHG-CMDGGOBGSA-N |
| Molecular Weight | 264.277 g/mol |
| SMILES | C(\C=C\C(OC1=CC=C(OC)C=C1)=O)(OCCC)=O |