| SpectraBase Compound ID | D7s14KsfClr |
|---|---|
| InChI | InChI=1S/C19H30O4/c1-3-5-6-7-8-9-10-11-12-13-17-23-19(21)15-14-18(20)22-16-4-2/h2,14-15H,3,5-13,16-17H2,1H3/b15-14+ |
| InChIKey | XSHDAHQOFVUBBS-CCEZHUSRSA-N |
| Mol Weight | 322.45 g/mol |
| Molecular Formula | C19H30O4 |
| Exact Mass | 322.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FnDeSgqUE9z |
|---|---|
| Name | Fumaric acid, dodecyl propargyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.214409442 u |
| Formula | C19H30O4 |
| InChI | InChI=1S/C19H30O4/c1-3-5-6-7-8-9-10-11-12-13-17-23-19(21)15-14-18(20)22-16-4-2/h2,14-15H,3,5-13,16-17H2,1H3/b15-14+ |
| InChIKey | XSHDAHQOFVUBBS-CCEZHUSRSA-N |
| Molecular Weight | 322.445 g/mol |
| SMILES | C(COC(\C=C\C(OCC#C)=O)=O)CCCCCCCCCC |