| SpectraBase Compound ID | 2Q8Ah5sUyIl |
|---|---|
| InChI | InChI=1S/C12H13NO2/c1-8(12(14)15)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6H2,1H3,(H,14,15) |
| InChIKey | JDZNIWUNOASRIK-UHFFFAOYSA-N |
| Mol Weight | 203.24 g/mol |
| Molecular Formula | C12H13NO2 |
| Exact Mass | 203.094629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KJdT5PHxUBU |
|---|---|
| Name | alpha-Methylindole-3-propionic 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/c1-8(12(14)15)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6H2,1H3,(H,14,15) |
| InChIKey | JDZNIWUNOASRIK-UHFFFAOYSA-N |
| Molecular Weight | 203.241 g/mol |
| SMILES | N1C=C(CC(C(O)=O)C)C=2C=CC=CC12 |