![Methyl-(S)-[N,N-diphenyl-2-amino-3-methyl]butanoate](/api/spectrum/HgrHel8cqfp/structure.png?h=300&w=458 "Methyl-(S)-[N,N-diphenyl-2-amino-3-methyl]butanoate")
| SpectraBase Compound ID | ILibfk9DGbk |
|---|---|
| InChI | InChI=1S/C18H21NO2/c1-14(2)17(18(20)21-3)19(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,17H,1-3H3/t17-/m0/s1 |
| InChIKey | QGSHUXXJIADMJT-KRWDZBQOSA-N |
| Mol Weight | 283.37 g/mol |
| Molecular Formula | C18H21NO2 |
| Exact Mass | 283.157229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HgrHel8cqfp |
|---|---|
| Name | Methyl-(S)-[N,N-diphenyl-2-amino-3-methyl]butanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.157228918 u |
| Formula | C18H21NO2 |
| InChI | InChI=1S/C18H21NO2/c1-14(2)17(18(20)21-3)19(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,17H,1-3H3/t17-/m0/s1 |
| InChIKey | QGSHUXXJIADMJT-KRWDZBQOSA-N |
| SMILES | [C@](N(C1=CC=CC=C1)C1=CC=CC=C1)(C(=O)OC)(C(C)C)[H] |