| SpectraBase Compound ID | ASVGLtG9iF9 |
|---|---|
| InChI | InChI=1S/C14H17NO2/c1-9-10-6-4-5-7-11(10)15-12(9)8-14(2,3)13(16)17/h4-7,15H,8H2,1-3H3,(H,16,17) |
| InChIKey | VHRVDEXWGVBETJ-UHFFFAOYSA-N |
| Mol Weight | 231.29 g/mol |
| Molecular Formula | C14H17NO2 |
| Exact Mass | 231.125929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IyBP2VWj1Lo |
|---|---|
| Name | 2,2-Dimethyl-3-(3-methyl-1H-indol-2-yl)propanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.125928789 u |
| Formula | C14H17NO2 |
| InChI | InChI=1S/C14H17NO2/c1-9-10-6-4-5-7-11(10)15-12(9)8-14(2,3)13(16)17/h4-7,15H,8H2,1-3H3,(H,16,17) |
| InChIKey | VHRVDEXWGVBETJ-UHFFFAOYSA-N |
| Molecular Weight | 231.295 g/mol |
| SMILES | C=1(NC=2C=CC=CC2C1C)CC(C(=O)O)(C)C |