| SpectraBase Compound ID | IKwXKOTHmw1 |
|---|---|
| InChI | InChI=1S/C13H15NO2/c1-3-16-13(15)8-10-9-14(2)12-7-5-4-6-11(10)12/h4-7,9H,3,8H2,1-2H3 |
| InChIKey | OGNCQOCRWWFARG-UHFFFAOYSA-N |
| Mol Weight | 217.27 g/mol |
| Molecular Formula | C13H15NO2 |
| Exact Mass | 217.110279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8jn4OgrLR88 |
|---|---|
| Name | 2-(1-Methyl-3-indolyl)acetic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.110278725 u |
| Formula | C13H15NO2 |
| InChI | InChI=1S/C13H15NO2/c1-3-16-13(15)8-10-9-14(2)12-7-5-4-6-11(10)12/h4-7,9H,3,8H2,1-2H3 |
| InChIKey | OGNCQOCRWWFARG-UHFFFAOYSA-N |
| Molecular Weight | 217.268 g/mol |
| SMILES | C(CC1=CN(C2=C1C=CC=C2)C)(=O)OCC |