| SpectraBase Compound ID | 37TAcKlzEcV |
|---|---|
| InChI | InChI=1S/C17H32N2O5/c1-8-23-17(22)19(7)13(4)15(20)18(6)14(5)16(21)24-11-9-10-12(2)3/h12-14H,8-11H2,1-7H3 |
| InChIKey | UFADJXZJUCBCLK-UHFFFAOYSA-N |
| Mol Weight | 344.5 g/mol |
| Molecular Formula | C17H32N2O5 |
| Exact Mass | 344.231122 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | pxebB9LDJU |
|---|---|
| Name | Alanylalanine, N,N'-dimethyl-N-ethoxycarbonyl-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.231122133 u |
| Formula | C17H32N2O5 |
| InChI | InChI=1S/C17H32N2O5/c1-8-23-17(22)19(7)13(4)15(20)18(6)14(5)16(21)24-11-9-10-12(2)3/h12-14H,8-11H2,1-7H3 |
| InChIKey | UFADJXZJUCBCLK-UHFFFAOYSA-N |
| Molecular Weight | 344.452 g/mol |
| SMILES | CCOC(N(C(C(N(C(C(OCCCC(C)C)=O)C)C)=O)C)C)=O |