| SpectraBase Compound ID | ARPXcXItrDH |
|---|---|
| InChI | InChI=1S/C13H20O4/c1-10(2)7-8-16-12(14)5-6-13(15)17-9-11(3)4/h5-7,11H,8-9H2,1-4H3/b6-5+ |
| InChIKey | JZHQGAODDNWNCN-AATRIKPKSA-N |
| Mol Weight | 240.3 g/mol |
| Molecular Formula | C13H20O4 |
| Exact Mass | 240.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FphPjDpT8CF |
|---|---|
| Name | Fumaric acid, isobutyl 3-methylbut-2-en-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.136159120 u |
| Formula | C13H20O4 |
| InChI | InChI=1S/C13H20O4/c1-10(2)7-8-16-12(14)5-6-13(15)17-9-11(3)4/h5-7,11H,8-9H2,1-4H3/b6-5+ |
| InChIKey | JZHQGAODDNWNCN-AATRIKPKSA-N |
| Molecular Weight | 240.299 g/mol |
| SMILES | C(COC(\C=C\C(OCC(C)C)=O)=O)=C(C)C |