| SpectraBase Compound ID | DEB4mcqQAMr |
|---|---|
| InChI | InChI=1S/C12H22N2O4/c1-5-6-7-18-12(17)9(3)14-11(16)8(2)13-10(4)15/h8-9H,5-7H2,1-4H3,(H,13,15)(H,14,16) |
| InChIKey | ULQHMYMNDPGXBD-UHFFFAOYSA-N |
| Mol Weight | 258.32 g/mol |
| Molecular Formula | C12H22N2O4 |
| Exact Mass | 258.157957 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LPoNQ5eGyTm |
|---|---|
| Name | L-Alanine, N-(N-acetyl-L-alanyl)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.157957192 u |
| Formula | C12H22N2O4 |
| InChI | InChI=1S/C12H22N2O4/c1-5-6-7-18-12(17)9(3)14-11(16)8(2)13-10(4)15/h8-9H,5-7H2,1-4H3,(H,13,15)(H,14,16) |
| InChIKey | ULQHMYMNDPGXBD-UHFFFAOYSA-N |
| SMILES | C(N[C@](C(OCCCC)=O)(C)[H])([C@@](NC(C)=O)(C)[H])=O |