| SpectraBase Compound ID | C8MjH00hne3 |
|---|---|
| InChI | InChI=1S/C17H31NO4/c1-4-5-6-7-8-9-10-14-21-16(19)11-12-17(20)22-15-13-18(2)3/h11-12H,4-10,13-15H2,1-3H3/b12-11+ |
| InChIKey | QPHCJYQBWCIUCK-VAWYXSNFSA-N |
| Mol Weight | 313.44 g/mol |
| Molecular Formula | C17H31NO4 |
| Exact Mass | 313.225308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dn06pTQzeA |
|---|---|
| Name | Fumaric acid, 2-dimethylaminoethyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.225308478 u |
| Formula | C17H31NO4 |
| InChI | InChI=1S/C17H31NO4/c1-4-5-6-7-8-9-10-14-21-16(19)11-12-17(20)22-15-13-18(2)3/h11-12H,4-10,13-15H2,1-3H3/b12-11+ |
| InChIKey | QPHCJYQBWCIUCK-VAWYXSNFSA-N |
| Molecular Weight | 313.438 g/mol |
| SMILES | C(OC(\C=C\C(OCCN(C)C)=O)=O)CCCCCCCC |