| SpectraBase Compound ID | 4jdO37Zpk48 |
|---|---|
| InChI | InChI=1S/C11H18O4/c1-5-14-10(12)6-7-11(13)15-9(4)8(2)3/h6-9H,5H2,1-4H3/b7-6+ |
| InChIKey | ZYMNTZKXROHRFD-VOTSOKGWSA-N |
| Mol Weight | 214.26 g/mol |
| Molecular Formula | C11H18O4 |
| Exact Mass | 214.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FUGAxr3US3c |
|---|---|
| Name | Fumaric acid, ethyl 3-methylbut-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.120509056 u |
| Formula | C11H18O4 |
| InChI | InChI=1S/C11H18O4/c1-5-14-10(12)6-7-11(13)15-9(4)8(2)3/h6-9H,5H2,1-4H3/b7-6+ |
| InChIKey | ZYMNTZKXROHRFD-VOTSOKGWSA-N |
| Molecular Weight | 214.261 g/mol |
| SMILES | C(\C=C\C(OC(C(C)C)C)=O)(OCC)=O |