| SpectraBase Compound ID | 7Ml5fjE2Tq6 |
|---|---|
| InChI | InChI=1S/C13H22O4/c1-10(2)8-16-11(14)6-7-12(15)17-9-13(3,4)5/h6-7,10H,8-9H2,1-5H3/b7-6+ |
| InChIKey | UPVOKGILMRRESI-VOTSOKGWSA-N |
| Mol Weight | 242.31 g/mol |
| Molecular Formula | C13H22O4 |
| Exact Mass | 242.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DvGHFOXUvZp |
|---|---|
| Name | Fumaric acid, isobutyl neopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.151809184 u |
| Formula | C13H22O4 |
| InChI | InChI=1S/C13H22O4/c1-10(2)8-16-11(14)6-7-12(15)17-9-13(3,4)5/h6-7,10H,8-9H2,1-5H3/b7-6+ |
| InChIKey | UPVOKGILMRRESI-VOTSOKGWSA-N |
| Molecular Weight | 242.315 g/mol |
| SMILES | C(OC(\C=C\C(OCC(C)(C)C)=O)=O)C(C)C |