| SpectraBase Compound ID | 6IIO7G1mJZU |
|---|---|
| InChI | InChI=1S/C16H20O5/c1-4-11-19-15(17)9-10-16(18)21-14-8-6-5-7-13(14)20-12(2)3/h5-10,12H,4,11H2,1-3H3/b10-9+ |
| InChIKey | SMUZNZHGAWDOLX-MDZDMXLPSA-N |
| Mol Weight | 292.33 g/mol |
| Molecular Formula | C16H20O5 |
| Exact Mass | 292.131074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hm4z277VShf |
|---|---|
| Name | Fumaric acid, 2-isopropoxyphenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.131073739 u |
| Formula | C16H20O5 |
| InChI | InChI=1S/C16H20O5/c1-4-11-19-15(17)9-10-16(18)21-14-8-6-5-7-13(14)20-12(2)3/h5-10,12H,4,11H2,1-3H3/b10-9+ |
| InChIKey | SMUZNZHGAWDOLX-MDZDMXLPSA-N |
| SMILES | C(\C=C\C(OC1=C(OC(C)C)C=CC=C1)=O)(OCCC)=O |