| SpectraBase Compound ID | J47Ht2dV1Kd |
|---|---|
| InChI | InChI=1S/C6H10N2O5/c1-4(6(10)13-2)7-5(9)3-8(11)12/h4H,3H2,1-2H3,(H,7,9)/t4-/m0/s1 |
| InChIKey | JUBAWMKNRXHQFB-BYPYZUCNSA-N |
| Mol Weight | 190.16 g/mol |
| Molecular Formula | C6H10N2O5 |
| Exact Mass | 190.058971 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ILFwv4DMEp |
|---|---|
| Name | Methyl N-(nitroacetyl)L-alaninate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.058971425 u |
| Formula | C6H10N2O5 |
| InChI | InChI=1S/C6H10N2O5/c1-4(6(10)13-2)7-5(9)3-8(11)12/h4H,3H2,1-2H3,(H,7,9)/t4-/m0/s1 |
| InChIKey | JUBAWMKNRXHQFB-BYPYZUCNSA-N |
| SMILES | C(N(=O)=O)C(N[C@](C(=O)OC)(C)[H])=O |