| SpectraBase Compound ID | AK5Syay2Pvo |
|---|---|
| InChI | InChI=1S/C20H37NO3/c1-5-7-9-11-15-21(16-12-10-8-6-2)19(22)13-14-20(23)24-17-18(3)4/h13-14,18H,5-12,15-17H2,1-4H3/b14-13+ |
| InChIKey | LPDQUENRZDEPLU-BUHFOSPRSA-N |
| Mol Weight | 339.5 g/mol |
| Molecular Formula | C20H37NO3 |
| Exact Mass | 339.277344 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JOzRMB1xkSp |
|---|---|
| Name | Fumaric acid, monoamide, N,N-dihexyl-, isobutyl 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/c1-5-7-9-11-15-21(16-12-10-8-6-2)19(22)13-14-20(23)24-17-18(3)4/h13-14,18H,5-12,15-17H2,1-4H3/b14-13+ |
| InChIKey | LPDQUENRZDEPLU-BUHFOSPRSA-N |
| Molecular Weight | 339.520 g/mol |
| SMILES | C(CCCN(C(\C=C\C(OCC(C)C)=O)=O)CCCCCC)CC |