| SpectraBase Compound ID | 7epJUHcjncx |
|---|---|
| InChI | InChI=1S/C18H32O4/c1-5-6-7-8-9-10-11-14-21-17(19)12-13-18(20)22-16(4)15(2)3/h12-13,15-16H,5-11,14H2,1-4H3/b13-12+ |
| InChIKey | ZRABJERZDFFPIN-OUKQBFOZSA-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 | 9W8rUEc2otB |
|---|---|
| Name | Fumaric acid, 3-methylbut-2-yl nonyl 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/c1-5-6-7-8-9-10-11-14-21-17(19)12-13-18(20)22-16(4)15(2)3/h12-13,15-16H,5-11,14H2,1-4H3/b13-12+ |
| InChIKey | ZRABJERZDFFPIN-OUKQBFOZSA-N |
| Molecular Weight | 312.450 g/mol |
| SMILES | C(\C=C\C(OC(C(C)C)C)=O)(OCCCCCCCCC)=O |