![N-benzyl-N-[(indol-2-yl)carbonyl]-2-methyl-beta-alanine](/api/spectrum/KSLxlECe2fi/structure.png?h=300&w=458 "N-benzyl-N-[(indol-2-yl)carbonyl]-2-methyl-beta-alanine")
| SpectraBase Compound ID | KrQJ0f57Ji6 |
|---|---|
| InChI | InChI=1S/C20H20N2O3/c1-14(20(24)25)12-22(13-15-7-3-2-4-8-15)19(23)18-11-16-9-5-6-10-17(16)21-18/h2-11,14,21H,12-13H2,1H3,(H,24,25) |
| InChIKey | IMQSFWFSFGIKKV-UHFFFAOYSA-N |
| Mol Weight | 336.39 g/mol |
| Molecular Formula | C20H20N2O3 |
| Exact Mass | 336.147393 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KSLxlECe2fi |
|---|---|
| Name | N-Benzyl-N-[(indol-2-yl)carbonyl]-2-methyl-beta-alanine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.147392509 u |
| Formula | C20H20N2O3 |
| InChI | InChI=1S/C20H20N2O3/c1-14(20(24)25)12-22(13-15-7-3-2-4-8-15)19(23)18-11-16-9-5-6-10-17(16)21-18/h2-11,14,21H,12-13H2,1H3,(H,24,25) |
| InChIKey | IMQSFWFSFGIKKV-UHFFFAOYSA-N |
| SMILES | N1C=2C=CC=CC2C=C1C(N(CC(C(=O)O)C)CC=1C=CC=CC1)=O |