| SpectraBase Compound ID | AUw2GRBCgED |
|---|---|
| InChI | InChI=1S/C19H35NO3/c1-4-5-6-7-8-9-10-11-12-15-20-18(21)13-14-19(22)23-16-17(2)3/h13-14,17H,4-12,15-16H2,1-3H3,(H,20,21)/b14-13+ |
| InChIKey | SQUMQKLJJCHVOS-BUHFOSPRSA-N |
| Mol Weight | 325.5 g/mol |
| Molecular Formula | C19H35NO3 |
| Exact Mass | 325.261694 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3krYzV4ApnE |
|---|---|
| Name | Fumaric acid, monoamide, N-undecyl-, isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.261693988 u |
| Formula | C19H35NO3 |
| InChI | InChI=1S/C19H35NO3/c1-4-5-6-7-8-9-10-11-12-15-20-18(21)13-14-19(22)23-16-17(2)3/h13-14,17H,4-12,15-16H2,1-3H3,(H,20,21)/b14-13+ |
| InChIKey | SQUMQKLJJCHVOS-BUHFOSPRSA-N |
| Molecular Weight | 325.493 g/mol |
| SMILES | C(CNC(\C=C\C(OCC(C)C)=O)=O)CCCCCCCCC |