| SpectraBase Compound ID | 5Wz1v9AgZeK |
|---|---|
| InChI | InChI=1S/C16H29NO4/c1-4-5-6-7-8-9-13-20-15(18)10-11-16(19)21-14-12-17(2)3/h10-11H,4-9,12-14H2,1-3H3/b11-10+ |
| InChIKey | YYMNQWHCPHUKDI-ZHACJKMWSA-N |
| Mol Weight | 299.41 g/mol |
| Molecular Formula | C16H29NO4 |
| Exact Mass | 299.209658 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GJrCuOVe9s |
|---|---|
| Name | Fumaric acid, 2-dimethylaminoethyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.209658414 u |
| Formula | C16H29NO4 |
| InChI | InChI=1S/C16H29NO4/c1-4-5-6-7-8-9-13-20-15(18)10-11-16(19)21-14-12-17(2)3/h10-11H,4-9,12-14H2,1-3H3/b11-10+ |
| InChIKey | YYMNQWHCPHUKDI-ZHACJKMWSA-N |
| SMILES | C(OC(\C=C\C(OCCN(C)C)=O)=O)CCCCCCC |