| SpectraBase Compound ID | HtwDeWtd9Ff |
|---|---|
| InChI | InChI=1S/C17H30O5/c1-4-5-6-7-8-12-21-16(18)9-10-17(19)22-14-15(2)11-13-20-3/h9-10,15H,4-8,11-14H2,1-3H3/b10-9+ |
| InChIKey | IXMLGEQQKMQBFR-MDZDMXLPSA-N |
| Mol Weight | 314.42 g/mol |
| Molecular Formula | C17H30O5 |
| Exact Mass | 314.209324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2LY1PpTsrYC |
|---|---|
| Name | Fumaric acid, heptyl 2-methyl-4-methoxybutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.209324061 u |
| Formula | C17H30O5 |
| InChI | InChI=1S/C17H30O5/c1-4-5-6-7-8-12-21-16(18)9-10-17(19)22-14-15(2)11-13-20-3/h9-10,15H,4-8,11-14H2,1-3H3/b10-9+ |
| InChIKey | IXMLGEQQKMQBFR-MDZDMXLPSA-N |
| SMILES | CCCCCCCOC(\C=C\C(OCC(CCOC)C)=O)=O |