| SpectraBase Compound ID | LCJkFmmRtVO |
|---|---|
| InChI | InChI=1S/C14H26N2O5/c1-7-8-9-21-13(18)11(3)15(4)12(17)10(2)16(5)14(19)20-6/h10-11H,7-9H2,1-6H3 |
| InChIKey | SMADQCRFIYYOQR-UHFFFAOYSA-N |
| Mol Weight | 302.37 g/mol |
| Molecular Formula | C14H26N2O5 |
| Exact Mass | 302.184172 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KBl6nyI5qyD |
|---|---|
| Name | Alanylalanine, N,N'-dimethyl-N'-methoxycarbonyl-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.184171940 u |
| Formula | C14H26N2O5 |
| InChI | InChI=1S/C14H26N2O5/c1-7-8-9-21-13(18)11(3)15(4)12(17)10(2)16(5)14(19)20-6/h10-11H,7-9H2,1-6H3 |
| InChIKey | SMADQCRFIYYOQR-UHFFFAOYSA-N |
| Molecular Weight | 302.371 g/mol |
| SMILES | C(COC(C(N(C(=O)C(N(C)C(OC)=O)C)C)C)=O)CC |