| SpectraBase Compound ID | IkOv6zzVnYX |
|---|---|
| InChI | InChI=1S/C14H24O4/c1-10(2)8-9-17-13(15)6-7-14(16)18-12(5)11(3)4/h6-7,10-12H,8-9H2,1-5H3/b7-6+ |
| InChIKey | SUKUBDSKMDHWTI-VOTSOKGWSA-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 | 3y0O3Z1Akc0 |
|---|---|
| Name | Fumaric acid, 3-methylbutyl 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/c1-10(2)8-9-17-13(15)6-7-14(16)18-12(5)11(3)4/h6-7,10-12H,8-9H2,1-5H3/b7-6+ |
| InChIKey | SUKUBDSKMDHWTI-VOTSOKGWSA-N |
| Molecular Weight | 256.342 g/mol |
| SMILES | C(\C=C\C(OC(C(C)C)C)=O)(OCCC(C)C)=O |