| SpectraBase Compound ID | B6ATBlSFMOb |
|---|---|
| InChI | InChI=1S/C16H28N2O5/c1-7-9-11-22-15(20)13(4)17(5)14(19)12(3)18(6)16(21)23-10-8-2/h8,12-13H,2,7,9-11H2,1,3-6H3 |
| InChIKey | PESCSPIGCFOTKR-UHFFFAOYSA-N |
| Mol Weight | 328.41 g/mol |
| Molecular Formula | C16H28N2O5 |
| Exact Mass | 328.199822 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 50QCkmz9qfe |
|---|---|
| Name | Alanylalanine, N,N'-dimethyl-N'-allyloxycarbonyl-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.199822005 u |
| Formula | C16H28N2O5 |
| InChI | InChI=1S/C16H28N2O5/c1-7-9-11-22-15(20)13(4)17(5)14(19)12(3)18(6)16(21)23-10-8-2/h8,12-13H,2,7,9-11H2,1,3-6H3 |
| InChIKey | PESCSPIGCFOTKR-UHFFFAOYSA-N |
| Molecular Weight | 328.409 g/mol |
| SMILES | C=CCOC(N(C(C)C(N(C(C)C(OCCCC)=O)C)=O)C)=O |