| SpectraBase Compound ID | FUTRaoDOyOb |
|---|---|
| InChI | InChI=1S/C19H34O5/c1-5-6-7-8-10-17(11-9-14-22-4)24-19(21)13-12-18(20)23-15-16(2)3/h12-13,16-17H,5-11,14-15H2,1-4H3/b13-12+ |
| InChIKey | HBAIIRRDPCSLSG-OUKQBFOZSA-N |
| Mol Weight | 342.5 g/mol |
| Molecular Formula | C19H34O5 |
| Exact Mass | 342.240624 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2z2VJoDMVWH |
|---|---|
| Name | Fumaric acid, isobutyl 1-methoxydec-4-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.240624190 u |
| Formula | C19H34O5 |
| InChI | InChI=1S/C19H34O5/c1-5-6-7-8-10-17(11-9-14-22-4)24-19(21)13-12-18(20)23-15-16(2)3/h12-13,16-17H,5-11,14-15H2,1-4H3/b13-12+ |
| InChIKey | HBAIIRRDPCSLSG-OUKQBFOZSA-N |
| Molecular Weight | 342.476 g/mol |
| SMILES | C(\C=C\C(OCC(C)C)=O)(OC(CCCOC)CCCCCC)=O |