| SpectraBase Compound ID | KpSNN9uuZ8H |
|---|---|
| InChI | InChI=1S/C14H22O4/c1-4-5-6-10-17-13(15)7-8-14(16)18-11-9-12(2)3/h7-8H,2,4-6,9-11H2,1,3H3/b8-7+ |
| InChIKey | MMZCQQBYBOOSBC-BQYQJAHWSA-N |
| Mol Weight | 254.33 g/mol |
| Molecular Formula | C14H22O4 |
| Exact Mass | 254.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6pTYU7QQVAp |
|---|---|
| Name | Fumaric acid, 3-methylbut-3-enyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.151809184 u |
| Formula | C14H22O4 |
| InChI | InChI=1S/C14H22O4/c1-4-5-6-10-17-13(15)7-8-14(16)18-11-9-12(2)3/h7-8H,2,4-6,9-11H2,1,3H3/b8-7+ |
| InChIKey | MMZCQQBYBOOSBC-BQYQJAHWSA-N |
| Molecular Weight | 254.326 g/mol |
| SMILES | CC(=C)CCOC(\C=C\C(OCCCCC)=O)=O |