| SpectraBase Compound ID | 7cc8VMpmd8i |
|---|---|
| InChI | InChI=1S/C16H20O4/c1-4-11-19-15(17)9-10-16(18)20-14-8-6-5-7-13(14)12(2)3/h5-10,12H,4,11H2,1-3H3/b10-9+ |
| InChIKey | ZDTAZHZLXIPQQM-MDZDMXLPSA-N |
| Mol Weight | 276.33 g/mol |
| Molecular Formula | C16H20O4 |
| Exact Mass | 276.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9jiCh05nIvS |
|---|---|
| Name | Fumaric acid, 2-isopropylphenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.136159120 u |
| Formula | C16H20O4 |
| InChI | InChI=1S/C16H20O4/c1-4-11-19-15(17)9-10-16(18)20-14-8-6-5-7-13(14)12(2)3/h5-10,12H,4,11H2,1-3H3/b10-9+ |
| InChIKey | ZDTAZHZLXIPQQM-MDZDMXLPSA-N |
| SMILES | C(\C=C\C(OC1=CC=CC=C1C(C)C)=O)(OCCC)=O |