| SpectraBase Compound ID | 2VViH1RQFCF |
|---|---|
| InChI | InChI=1S/C18H28N2O4/c1-5-23-17(21)9-7-14-12-19-15(8-10-18(22)24-6-2)16(20-14)11-13(3)4/h12-13H,5-11H2,1-4H3 |
| InChIKey | DPQPHGWVFXESHB-UHFFFAOYSA-N |
| Mol Weight | 336.43 g/mol |
| Molecular Formula | C18H28N2O4 |
| Exact Mass | 336.204907 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JQDiOOAkj5u |
|---|---|
| Name | 2,5-Pyrazinedipropanoic acid, 3-(2-methylpropyl)-, diethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.204907386 u |
| Formula | C18H28N2O4 |
| InChI | InChI=1S/C18H28N2O4/c1-5-23-17(21)9-7-14-12-19-15(8-10-18(22)24-6-2)16(20-14)11-13(3)4/h12-13H,5-11H2,1-4H3 |
| InChIKey | DPQPHGWVFXESHB-UHFFFAOYSA-N |
| Molecular Weight | 336.432 g/mol |
| SMILES | C1(=NC(=CN=C1CCC(=O)OCC)CCC(=O)OCC)CC(C)C |