| SpectraBase Compound ID | CBqS6Y1j6tw |
|---|---|
| InChI | InChI=1S/C14H24O4/c1-4-7-8-12(6-3)18-14(16)10-9-13(15)17-11-5-2/h9-10,12H,4-8,11H2,1-3H3/b10-9+ |
| InChIKey | WRPCOPQOIPNZGI-MDZDMXLPSA-N |
| Mol Weight | 256.34 g/mol |
| Molecular Formula | C14H24O4 |
| Exact Mass | 256.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2sUSrex92dE |
|---|---|
| Name | Fumaric acid, 3-heptyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.167459249 u |
| Formula | C14H24O4 |
| InChI | InChI=1S/C14H24O4/c1-4-7-8-12(6-3)18-14(16)10-9-13(15)17-11-5-2/h9-10,12H,4-8,11H2,1-3H3/b10-9+ |
| InChIKey | WRPCOPQOIPNZGI-MDZDMXLPSA-N |
| Molecular Weight | 256.342 g/mol |
| SMILES | C(OC(CC)CCCC)(\C=C\C(OCCC)=O)=O |