| SpectraBase Compound ID | 8llkYcSz300 |
|---|---|
| InChI | InChI=1S/C12H13NO2/c1-3-9-11(12(14)15)8-6-4-5-7-10(8)13(9)2/h4-7H,3H2,1-2H3,(H,14,15) |
| InChIKey | DMGQHHYIGBFFOA-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 | EqxXXsOl3R |
|---|---|
| Name | 2-Ethyl-1-methyl-3-indolecarboxylic 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/c1-3-9-11(12(14)15)8-6-4-5-7-10(8)13(9)2/h4-7H,3H2,1-2H3,(H,14,15) |
| InChIKey | DMGQHHYIGBFFOA-UHFFFAOYSA-N |
| Molecular Weight | 203.241 g/mol |
| SMILES | C1(=C(N(C)C2=C1C=CC=C2)CC)C(=O)O |