| SpectraBase Compound ID | GC0nZQXDO5c |
|---|---|
| InChI | InChI=1S/C16H20O4/c1-13(2)12-20-16(18)9-8-15(17)19-11-10-14-6-4-3-5-7-14/h3-9,13H,10-12H2,1-2H3/b9-8+ |
| InChIKey | KTSHBUDPUFWWNY-CMDGGOBGSA-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 | 4VQePTtIn60 |
|---|---|
| Name | Fumaric acid, isobutyl 2-phenylethyl 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/c1-13(2)12-20-16(18)9-8-15(17)19-11-10-14-6-4-3-5-7-14/h3-9,13H,10-12H2,1-2H3/b9-8+ |
| InChIKey | KTSHBUDPUFWWNY-CMDGGOBGSA-N |
| SMILES | C(\C=C\C(OCC(C)C)=O)(OCCC1=CC=CC=C1)=O |