| SpectraBase Compound ID | 3wDlbC5MXKb |
|---|---|
| InChI | InChI=1S/C16H22N2O5/c1-3-11(2)14(15(20)21)18-13(19)9-17-16(22)23-10-12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3,(H,17,22)(H,18,19)(H,20,21)/t11-,14-/m0/s1 |
| InChIKey | YPXHSERXWVIZGK-FZMZJTMJSA-N |
| Mol Weight | 322.36 g/mol |
| Molecular Formula | C16H22N2O5 |
| Exact Mass | 322.152872 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HnQBgJEBgPS |
|---|---|
| Name | L-N-(N-Carboxyglycyl)isoleucine, N-benzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.152871811 u |
| Formula | C16H22N2O5 |
| InChI | InChI=1S/C16H22N2O5/c1-3-11(2)14(15(20)21)18-13(19)9-17-16(22)23-10-12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3,(H,17,22)(H,18,19)(H,20,21)/t11-,14-/m0/s1 |
| InChIKey | YPXHSERXWVIZGK-FZMZJTMJSA-N |
| Molecular Weight | 322.361 g/mol |
| SMILES | N(C(OCC=1C=CC=CC1)=O)CC(N[C@](C(O)=O)([C@](CC)(C)[H])[H])=O |