| SpectraBase Compound ID | LtKuRW9g771 |
|---|---|
| InChI | InChI=1S/C13H14N2O3/c16-12(14-6-5-13(17)18)7-9-8-15-11-4-2-1-3-10(9)11/h1-4,8,15H,5-7H2,(H,14,16)(H,17,18) |
| InChIKey | ZXSGFGTUYKNDSQ-UHFFFAOYSA-N |
| Mol Weight | 246.27 g/mol |
| Molecular Formula | C13H14N2O3 |
| Exact Mass | 246.100442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Tp7dXAe5CO |
|---|---|
| Name | N-Indolylacetyl-beta-alanine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.100442316 u |
| Formula | C13H14N2O3 |
| InChI | InChI=1S/C13H14N2O3/c16-12(14-6-5-13(17)18)7-9-8-15-11-4-2-1-3-10(9)11/h1-4,8,15H,5-7H2,(H,14,16)(H,17,18) |
| InChIKey | ZXSGFGTUYKNDSQ-UHFFFAOYSA-N |
| Molecular Weight | 246.266 g/mol |
| SMILES | C1=CC=CC2=C1C(=CN2)CC(NCCC(=O)O)=O |