| SpectraBase Compound ID | 8nZagrmKira |
|---|---|
| InChI | InChI=1S/C12H13NO2/c1-13-8-9(6-7-12(14)15)10-4-2-3-5-11(10)13/h2-5,8H,6-7H2,1H3,(H,14,15) |
| InChIKey | VVKVBQDZJLGAFG-UHFFFAOYSA-N |
| Mol Weight | 203.24 g/mol |
| Molecular Formula | C12H13NO2 |
| Exact Mass | 203.094629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AQj4rpbQuM1 |
|---|---|
| Name | 3-(1-Methyl-1H-indol-3-yl)propanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.094628661 u |
| Formula | C12H13NO2 |
| InChI | InChI=1S/C12H13NO2/c1-13-8-9(6-7-12(14)15)10-4-2-3-5-11(10)13/h2-5,8H,6-7H2,1H3,(H,14,15) |
| InChIKey | VVKVBQDZJLGAFG-UHFFFAOYSA-N |
| Molecular Weight | 203.241 g/mol |
| SMILES | C(CCC1=CN(C2=C1C=CC=C2)C)(=O)O |