![N-benzyl-N-[(indol-2-yl)carbonyl]-beta-alanine](/api/spectrum/uDVhpHDjyW/structure.png?h=300&w=458 "N-benzyl-N-[(indol-2-yl)carbonyl]-beta-alanine")
| SpectraBase Compound ID | 7rSqVRTB884 |
|---|---|
| InChI | InChI=1S/C19H18N2O3/c22-18(23)10-11-21(13-14-6-2-1-3-7-14)19(24)17-12-15-8-4-5-9-16(15)20-17/h1-9,12,20H,10-11,13H2,(H,22,23) |
| InChIKey | HOFHAQHKEXGKLQ-UHFFFAOYSA-N |
| Mol Weight | 322.36 g/mol |
| Molecular Formula | C19H18N2O3 |
| Exact Mass | 322.131742 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | uDVhpHDjyW |
|---|---|
| Name | N-Benzyl-N-[(indol-2-yl)carbonyl]-beta-alanine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.131742445 u |
| Formula | C19H18N2O3 |
| InChI | InChI=1S/C19H18N2O3/c22-18(23)10-11-21(13-14-6-2-1-3-7-14)19(24)17-12-15-8-4-5-9-16(15)20-17/h1-9,12,20H,10-11,13H2,(H,22,23) |
| InChIKey | HOFHAQHKEXGKLQ-UHFFFAOYSA-N |
| SMILES | N1C=2C=CC=CC2C=C1C(N(CCC(O)=O)CC=1C=CC=CC1)=O |