| SpectraBase Compound ID | 27R5NTgG7qK |
|---|---|
| InChI | InChI=1S/C20H37NO3/c1-3-5-7-8-9-10-11-12-13-17-21-19(22)15-16-20(23)24-18-14-6-4-2/h15-16H,3-14,17-18H2,1-2H3,(H,21,22)/b16-15+ |
| InChIKey | HCCSUAVRWQNVGQ-FOCLMDBBSA-N |
| Mol Weight | 339.5 g/mol |
| Molecular Formula | C20H37NO3 |
| Exact Mass | 339.277344 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2vTakughAFh |
|---|---|
| Name | Fumaric acid, monoamide, N-undecyl-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.277344052 u |
| Formula | C20H37NO3 |
| InChI | InChI=1S/C20H37NO3/c1-3-5-7-8-9-10-11-12-13-17-21-19(22)15-16-20(23)24-18-14-6-4-2/h15-16H,3-14,17-18H2,1-2H3,(H,21,22)/b16-15+ |
| InChIKey | HCCSUAVRWQNVGQ-FOCLMDBBSA-N |
| Molecular Weight | 339.520 g/mol |
| SMILES | C(CNC(\C=C\C(OCCCCC)=O)=O)CCCCCCCCC |