| SpectraBase Compound ID | GdPV0U1XP0B |
|---|---|
| InChI | InChI=1S/C17H16N2O2/c20-17(21)16(19-13-6-2-1-3-7-13)10-12-11-18-15-9-5-4-8-14(12)15/h1-9,11,16,18-19H,10H2,(H,20,21)/t16-/m0/s1 |
| InChIKey | IFERMQAWBHARLN-INIZCTEOSA-N |
| Mol Weight | 280.33 g/mol |
| Molecular Formula | C17H16N2O2 |
| Exact Mass | 280.121178 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9YCTiUOnlqz |
|---|---|
| Name | 2-(N-Phenylamino)-3-(indol-3'-yl)propanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.121177761 u |
| Formula | C17H16N2O2 |
| InChI | InChI=1S/C17H16N2O2/c20-17(21)16(19-13-6-2-1-3-7-13)10-12-11-18-15-9-5-4-8-14(12)15/h1-9,11,16,18-19H,10H2,(H,20,21)/t16-/m0/s1 |
| InChIKey | IFERMQAWBHARLN-INIZCTEOSA-N |
| SMILES | C1(=CNC=2C1=CC=CC2)C[C@@](C(=O)O)(NC=1C=CC=CC1)[H] |