| SpectraBase Compound ID | 1XQNQIcGnRR |
|---|---|
| InChI | InChI=1S/C18H27NO4/c1-5-19(6-2)11-12-22-17(20)9-10-18(21)23-16-8-7-14(3)15(4)13-16/h7-8,13H,5-6,9-12H2,1-4H3 |
| InChIKey | JLGLHKDJMKEMRY-UHFFFAOYSA-N |
| Mol Weight | 321.42 g/mol |
| Molecular Formula | C18H27NO4 |
| Exact Mass | 321.194008 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C7uuSPs4NQC |
|---|---|
| Name | Succinic acid, 3,4-dimethylphenyl N,N-diethyl-2-aminoethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.194008349 u |
| Formula | C18H27NO4 |
| InChI | InChI=1S/C18H27NO4/c1-5-19(6-2)11-12-22-17(20)9-10-18(21)23-16-8-7-14(3)15(4)13-16/h7-8,13H,5-6,9-12H2,1-4H3 |
| InChIKey | JLGLHKDJMKEMRY-UHFFFAOYSA-N |
| Molecular Weight | 321.417 g/mol |
| SMILES | C1=C(C=C(C(=C1)C)C)OC(=O)CCC(=O)OCCN(CC)CC |