| SpectraBase Compound ID | 94lGLUphyRq |
|---|---|
| InChI | InChI=1S/C18H33NO4/c1-4-5-6-7-8-9-10-11-15-22-17(20)12-13-18(21)23-16-14-19(2)3/h12-13H,4-11,14-16H2,1-3H3/b13-12+ |
| InChIKey | XQIDLCMHXRKOBK-OUKQBFOZSA-N |
| Mol Weight | 327.5 g/mol |
| Molecular Formula | C18H33NO4 |
| Exact Mass | 327.240959 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Im5jwhra2CE |
|---|---|
| Name | Fumaric acid, decyl 2-dimethylaminoethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.240958543 u |
| Formula | C18H33NO4 |
| InChI | InChI=1S/C18H33NO4/c1-4-5-6-7-8-9-10-11-15-22-17(20)12-13-18(21)23-16-14-19(2)3/h12-13H,4-11,14-16H2,1-3H3/b13-12+ |
| InChIKey | XQIDLCMHXRKOBK-OUKQBFOZSA-N |
| Molecular Weight | 327.465 g/mol |
| SMILES | C(OC(\C=C\C(OCCN(C)C)=O)=O)CCCCCCCCC |