| SpectraBase Compound ID | 2fBCpW23hf3 |
|---|---|
| InChI | InChI=1S/C20H37NO3/c1-4-7-9-11-13-17-21(18-14-12-10-8-5-2)19(22)15-16-20(23)24-6-3/h15-16H,4-14,17-18H2,1-3H3/b16-15+ |
| InChIKey | NEIBSOYAFAODPN-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 | 4iItebBZMxa |
|---|---|
| Name | Fumaric acid, monoamide, N,N-diheptyl-, ethyl 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/c1-4-7-9-11-13-17-21(18-14-12-10-8-5-2)19(22)15-16-20(23)24-6-3/h15-16H,4-14,17-18H2,1-3H3/b16-15+ |
| InChIKey | NEIBSOYAFAODPN-FOCLMDBBSA-N |
| Molecular Weight | 339.520 g/mol |
| SMILES | C(CN(C(\C=C\C(OCC)=O)=O)CCCCCCC)CCCCC |