| SpectraBase Compound ID | E62d1ZfKwUB |
|---|---|
| InChI | InChI=1S/C13H21NO7/c1-7(15)21-9(13(2,3)4)10(16)14-8(11(17)19-5)12(18)20-6/h8-9H,1-6H3,(H,14,16)/t9-/m1/s1 |
| InChIKey | YTJAMQDOFWORIK-SECBINFHSA-N |
| Mol Weight | 303.31 g/mol |
| Molecular Formula | C13H21NO7 |
| Exact Mass | 303.131802 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BuqY9GYElxc |
|---|---|
| Name | Dimethyl (S)-N-2-acetoxy-3,3-dimethylbutanoylminomalonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.131802013 u |
| Formula | C13H21NO7 |
| InChI | InChI=1S/C13H21NO7/c1-7(15)21-9(13(2,3)4)10(16)14-8(11(17)19-5)12(18)20-6/h8-9H,1-6H3,(H,14,16)/t9-/m1/s1 |
| InChIKey | YTJAMQDOFWORIK-SECBINFHSA-N |
| Molecular Weight | 303.311 g/mol |
| SMILES | C(NC([C@@](OC(=O)C)(C(C)(C)C)[H])=O)(C(=O)OC)C(=O)OC |