| SpectraBase Compound ID | 9aBJTCZKs8v |
|---|---|
| InChI | InChI=1S/C13H20O4/c1-4-5-9-16-12(14)6-7-13(15)17-10-8-11(2)3/h6-8H,4-5,9-10H2,1-3H3/b7-6+ |
| InChIKey | QFQMHAXJLBKIPN-VOTSOKGWSA-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 | GaYG1lnT7Zu |
|---|---|
| Name | Fumaric acid, butyl 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/c1-4-5-9-16-12(14)6-7-13(15)17-10-8-11(2)3/h6-8H,4-5,9-10H2,1-3H3/b7-6+ |
| InChIKey | QFQMHAXJLBKIPN-VOTSOKGWSA-N |
| Molecular Weight | 240.299 g/mol |
| SMILES | C(=CCOC(\C=C\C(OCCCC)=O)=O)(C)C |