![butanoic acid, 2-[(1H-indol-2-ylcarbonyl)amino]-](/api/spectrum/K9RSbSiIRxo/structure.png?h=300&w=458 "butanoic acid, 2-[(1H-indol-2-ylcarbonyl)amino]-")
| SpectraBase Compound ID | 9nO7ZakQOsc |
|---|---|
| InChI | InChI=1S/C13H14N2O3/c1-2-9(13(17)18)15-12(16)11-7-8-5-3-4-6-10(8)14-11/h3-7,9,14H,2H2,1H3,(H,15,16)(H,17,18) |
| InChIKey | URIQZQGHAKCXFS-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 | K9RSbSiIRxo |
|---|---|
| Name | Butanoic acid, 2-[(1H-indol-2-ylcarbonyl)amino]- |
| 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/c1-2-9(13(17)18)15-12(16)11-7-8-5-3-4-6-10(8)14-11/h3-7,9,14H,2H2,1H3,(H,15,16)(H,17,18) |
| InChIKey | URIQZQGHAKCXFS-UHFFFAOYSA-N |
| Molecular Weight | 246.266 g/mol |
| SMILES | N1C2=CC=CC=C2C=C1C(NC(C(=O)O)CC)=O |