| SpectraBase Compound ID | 278w4arZL6G |
|---|---|
| InChI | InChI=1S/C12H13NO2/c1-15-12(14)7-9-13-8-6-10-4-2-3-5-11(10)13/h2-6,8H,7,9H2,1H3 |
| InChIKey | ILAGLZFPDDPGEI-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 | FHHVdx9TYoB |
|---|---|
| Name | 3-Indol-1-yl-propionic acid, methyl ester |
| 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/c1-15-12(14)7-9-13-8-6-10-4-2-3-5-11(10)13/h2-6,8H,7,9H2,1H3 |
| InChIKey | ILAGLZFPDDPGEI-UHFFFAOYSA-N |
| Molecular Weight | 203.241 g/mol |
| SMILES | C1=CC=C2C(=C1)C=CN2CCC(OC)=O |