| SpectraBase Compound ID | 3tVFgqgKgpo |
|---|---|
| InChI | InChI=1S/C14H24O4/c1-9(2)11(5)17-13(15)7-8-14(16)18-12(6)10(3)4/h7-12H,1-6H3/b8-7+ |
| InChIKey | XNGKHZVNBSVEOW-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 | 2M0sv2kS0Lv |
|---|---|
| Name | Fumaric acid, di(3-methylbut-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/c1-9(2)11(5)17-13(15)7-8-14(16)18-12(6)10(3)4/h7-12H,1-6H3/b8-7+ |
| InChIKey | XNGKHZVNBSVEOW-BQYQJAHWSA-N |
| Molecular Weight | 256.342 g/mol |
| SMILES | C(\C=C\C(OC(C(C)C)C)=O)(OC(C(C)C)C)=O |