| SpectraBase Compound ID | 2uZXpwcLTjX |
|---|---|
| InChI | InChI=1S/C18H32O4/c1-8-15(13(2)3)22-17(20)10-9-16(19)21-12-14(4)11-18(5,6)7/h9-10,13-15H,8,11-12H2,1-7H3/b10-9+ |
| InChIKey | WDSSORKNQLETJT-MDZDMXLPSA-N |
| Mol Weight | 312.5 g/mol |
| Molecular Formula | C18H32O4 |
| Exact Mass | 312.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4zlXPWbTdCA |
|---|---|
| Name | Fumaric acid, 2,4,4-trimethylpentyl 2-methylpent-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.230059506 u |
| Formula | C18H32O4 |
| InChI | InChI=1S/C18H32O4/c1-8-15(13(2)3)22-17(20)10-9-16(19)21-12-14(4)11-18(5,6)7/h9-10,13-15H,8,11-12H2,1-7H3/b10-9+ |
| InChIKey | WDSSORKNQLETJT-MDZDMXLPSA-N |
| Molecular Weight | 312.450 g/mol |
| SMILES | C(\C=C\C(OC(CC)C(C)C)=O)(OCC(CC(C)(C)C)C)=O |