![Methyl 2-[(2-methoxypropanoyl)(methyl)amino]-3-methylbutanoate (isomer 1)](/api/spectrum/KZcxNwIK4In/structure.png?h=300&w=458 "Methyl 2-[(2-methoxypropanoyl)(methyl)amino]-3-methylbutanoate (isomer 1)")
| SpectraBase Compound ID | 3FxtM7m8YuP |
|---|---|
| InChI | InChI=1S/C11H21NO4/c1-7(2)9(11(14)16-6)12(4)10(13)8(3)15-5/h7-9H,1-6H3 |
| InChIKey | GATWOPDICADYKQ-UHFFFAOYSA-N |
| Mol Weight | 231.29 g/mol |
| Molecular Formula | C11H21NO4 |
| Exact Mass | 231.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KZcxNwIK4In |
|---|---|
| Name | Methyl 2-[(2-methoxypropanoyl)(methyl)amino]-3-methylbutanoate (isomer 1) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.147058156 u |
| Formula | C11H21NO4 |
| InChI | InChI=1S/C11H21NO4/c1-7(2)9(11(14)16-6)12(4)10(13)8(3)15-5/h7-9H,1-6H3 |
| InChIKey | GATWOPDICADYKQ-UHFFFAOYSA-N |
| Molecular Weight | 231.292 g/mol |
| SMILES | C(OC)(=O)C(C(C)C)N(C(=O)C(OC)C)C |