| SpectraBase Compound ID | 2kCySrOwNVT |
|---|---|
| InChI | InChI=1S/C9H14N2O4/c1-3-6-15-9(13)11-7(4-5-10)8(12)14-2/h7H,3-4,6H2,1-2H3,(H,11,13) |
| InChIKey | TWACUWONSYTJCY-UHFFFAOYSA-N |
| Mol Weight | 214.22 g/mol |
| Molecular Formula | C9H14N2O4 |
| Exact Mass | 214.095357 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LiSdw5oDWoM |
|---|---|
| Name | L-Alanine, 3-cyano-, N-(N-propyloxycarbonyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.095356935 u |
| Formula | C9H14N2O4 |
| InChI | InChI=1S/C9H14N2O4/c1-3-6-15-9(13)11-7(4-5-10)8(12)14-2/h7H,3-4,6H2,1-2H3,(H,11,13) |
| InChIKey | TWACUWONSYTJCY-UHFFFAOYSA-N |
| Molecular Weight | 214.221 g/mol |
| SMILES | C(=O)(OC)C(NC(OCCC)=O)CC#N |