| SpectraBase Compound ID | DIRfRW0vDMq |
|---|---|
| InChI | InChI=1S/C11H18N2O4/c1-7(2)16-10(14)9(5-6-12)13-11(15)17-8(3)4/h7-9H,5H2,1-4H3,(H,13,15) |
| InChIKey | CITIRBGAULCDOC-UHFFFAOYSA-N |
| Mol Weight | 242.27 g/mol |
| Molecular Formula | C11H18N2O4 |
| Exact Mass | 242.126657 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dq67UXSEolw |
|---|---|
| Name | L-Alanine, 3-cyano-, N-isopropyloxycarbonyl-, isopropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.126657064 u |
| Formula | C11H18N2O4 |
| InChI | InChI=1S/C11H18N2O4/c1-7(2)16-10(14)9(5-6-12)13-11(15)17-8(3)4/h7-9H,5H2,1-4H3,(H,13,15) |
| InChIKey | CITIRBGAULCDOC-UHFFFAOYSA-N |
| Molecular Weight | 242.275 g/mol |
| SMILES | C(=O)(OC(C)C)C(NC(OC(C)C)=O)CC#N |