| SpectraBase Compound ID | CU8jZ8pHQGy |
|---|---|
| InChI | InChI=1S/C18H26N2O5/c1-5-12(2)15(16(21)19-13(3)17(22)24-4)20-18(23)25-11-14-9-7-6-8-10-14/h6-10,12-13,15H,5,11H2,1-4H3,(H,19,21)(H,20,23)/t12-,13-,15-/m0/s1 |
| InChIKey | BYXMOKFOFBAOOM-YDHLFZDLSA-N |
| Mol Weight | 350.42 g/mol |
| Molecular Formula | C18H26N2O5 |
| Exact Mass | 350.184172 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1764UMkehmT |
|---|---|
| Name | Alanine, N-(N-benzyloxycarbonyl-L-isoleucyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.184171940 u |
| Formula | C18H26N2O5 |
| InChI | InChI=1S/C18H26N2O5/c1-5-12(2)15(16(21)19-13(3)17(22)24-4)20-18(23)25-11-14-9-7-6-8-10-14/h6-10,12-13,15H,5,11H2,1-4H3,(H,19,21)(H,20,23)/t12-,13-,15-/m0/s1 |
| InChIKey | BYXMOKFOFBAOOM-YDHLFZDLSA-N |
| Molecular Weight | 350.415 g/mol |
| SMILES | C(N[C@](C(=O)OC)(C)[H])([C@@](NC(=O)OCC1=CC=CC=C1)([C@](CC)(C)[H])[H])=O |