![3-[5-(2-Methylpropyl)-3,6-dioxopiperazin-2-yl]propanoic acid, 3me derivative (isomer 2)](/api/spectrum/7GXW2EHJKkS/structure.png?h=300&w=458 "3-[5-(2-Methylpropyl)-3,6-dioxopiperazin-2-yl]propanoic acid, 3me derivative (isomer 2)")
| SpectraBase Compound ID | EkkxGXsUvIk |
|---|---|
| InChI | InChI=1S/C14H24N2O4/c1-9(2)8-11-14(19)15(3)10(13(18)16(11)4)6-7-12(17)20-5/h9-11H,6-8H2,1-5H3 |
| InChIKey | NJSIFJQWVVZECR-UHFFFAOYSA-N |
| Mol Weight | 284.36 g/mol |
| Molecular Formula | C14H24N2O4 |
| Exact Mass | 284.173607 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7GXW2EHJKkS |
|---|---|
| Name | 3-[5-(2-Methylpropyl)-3,6-dioxopiperazin-2-yl]propanoic acid, 3me derivative (isomer 2) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.173607257 u |
| Formula | C14H24N2O4 |
| InChI | InChI=1S/C14H24N2O4/c1-9(2)8-11-14(19)15(3)10(13(18)16(11)4)6-7-12(17)20-5/h9-11H,6-8H2,1-5H3 |
| InChIKey | NJSIFJQWVVZECR-UHFFFAOYSA-N |
| SMILES | CN1C(C(N(C)C(C1=O)CCC(OC)=O)=O)CC(C)C |