| SpectraBase Compound ID | Adp5gw95W7r |
|---|---|
| InChI | InChI=1S/C14H24O4/c1-10(2)9-17-12(15)7-8-13(16)18-11(3)14(4,5)6/h7-8,10-11H,9H2,1-6H3/b8-7+ |
| InChIKey | GDOAQDJHOVUXRA-BQYQJAHWSA-N |
| Mol Weight | 256.34 g/mol |
| Molecular Formula | C14H24O4 |
| Exact Mass | 256.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | SsJkJvbHiQ |
|---|---|
| Name | Fumaric acid, 3,3-dimethylbut-2-yl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.167459249 u |
| Formula | C14H24O4 |
| InChI | InChI=1S/C14H24O4/c1-10(2)9-17-12(15)7-8-13(16)18-11(3)14(4,5)6/h7-8,10-11H,9H2,1-6H3/b8-7+ |
| InChIKey | GDOAQDJHOVUXRA-BQYQJAHWSA-N |
| Molecular Weight | 256.342 g/mol |
| SMILES | C(OC(C(C)(C)C)C)(\C=C\C(OCC(C)C)=O)=O |