| SpectraBase Compound ID | FuEbbJTHksa |
|---|---|
| InChI | InChI=1S/C15H24O4/c1-12(2)11-18-14(16)9-10-15(17)19-13-7-5-3-4-6-8-13/h9-10,12-13H,3-8,11H2,1-2H3/b10-9+ |
| InChIKey | SMLSBSZQMLKIEZ-MDZDMXLPSA-N |
| Mol Weight | 268.35 g/mol |
| Molecular Formula | C15H24O4 |
| Exact Mass | 268.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 85IyNNs4ebe |
|---|---|
| Name | Fumaric acid, cycloheptyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.167459249 u |
| Formula | C15H24O4 |
| InChI | InChI=1S/C15H24O4/c1-12(2)11-18-14(16)9-10-15(17)19-13-7-5-3-4-6-8-13/h9-10,12-13H,3-8,11H2,1-2H3/b10-9+ |
| InChIKey | SMLSBSZQMLKIEZ-MDZDMXLPSA-N |
| Molecular Weight | 268.353 g/mol |
| SMILES | C1CCC(CCC1)OC(=O)\C=C\C(OCC(C)C)=O |