| SpectraBase Compound ID | 1xUR1ChJYR |
|---|---|
| InChI | InChI=1S/C16H30N2O5/c1-8-9-22-16(21)18(7)12(4)14(19)17(6)13(5)15(20)23-10-11(2)3/h11-13H,8-10H2,1-7H3 |
| InChIKey | PEQTVFSAIYZRBG-UHFFFAOYSA-N |
| Mol Weight | 330.43 g/mol |
| Molecular Formula | C16H30N2O5 |
| Exact Mass | 330.215472 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | kAt4EaCsRx |
|---|---|
| Name | Alanylalanine, N,N'-dimethyl-N'-propoxycarbonyl-, isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.215472069 u |
| Formula | C16H30N2O5 |
| InChI | InChI=1S/C16H30N2O5/c1-8-9-22-16(21)18(7)12(4)14(19)17(6)13(5)15(20)23-10-11(2)3/h11-13H,8-10H2,1-7H3 |
| InChIKey | PEQTVFSAIYZRBG-UHFFFAOYSA-N |
| Molecular Weight | 330.425 g/mol |
| SMILES | CCCOC(N(C(C(N(C(C(OCC(C)C)=O)C)C)=O)C)C)=O |