| SpectraBase Compound ID | 4C2tJM2mLKg |
|---|---|
| InChI | InChI=1S/C14H24O4/c1-5-6-9-17-13(15)7-8-14(16)18-12(4)10-11(2)3/h7-8,11-12H,5-6,9-10H2,1-4H3/b8-7+ |
| InChIKey | BEUCXRBZXKYBLN-BQYQJAHWSA-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 | BaoujJNQs9j |
|---|---|
| Name | Fumaric acid, butyl 4-methylpent-2-yl 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/c1-5-6-9-17-13(15)7-8-14(16)18-12(4)10-11(2)3/h7-8,11-12H,5-6,9-10H2,1-4H3/b8-7+ |
| InChIKey | BEUCXRBZXKYBLN-BQYQJAHWSA-N |
| Molecular Weight | 256.342 g/mol |
| SMILES | C(OC(C)CC(C)C)(\C=C\C(OCCCC)=O)=O |