![N-[(Indol-2-yl)carbonyl]-3-phenylalanine](/api/spectrum/KHcFTMeLalJ/structure.png?h=300&w=458 "N-[(Indol-2-yl)carbonyl]-3-phenylalanine")
| SpectraBase Compound ID | 7qaBq7mFuKo |
|---|---|
| InChI | InChI=1S/C18H16N2O3/c21-17(15-11-13-8-4-5-9-14(13)19-15)20-16(18(22)23)10-12-6-2-1-3-7-12/h1-9,11,16,19H,10H2,(H,20,21)(H,22,23) |
| InChIKey | MDGSLYWHCJHBAA-UHFFFAOYSA-N |
| Mol Weight | 308.34 g/mol |
| Molecular Formula | C18H16N2O3 |
| Exact Mass | 308.116092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KHcFTMeLalJ |
|---|---|
| Name | N-[(Indol-2-yl)carbonyl]-3-phenylalanine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.116092380 u |
| Formula | C18H16N2O3 |
| InChI | InChI=1S/C18H16N2O3/c21-17(15-11-13-8-4-5-9-14(13)19-15)20-16(18(22)23)10-12-6-2-1-3-7-12/h1-9,11,16,19H,10H2,(H,20,21)(H,22,23) |
| InChIKey | MDGSLYWHCJHBAA-UHFFFAOYSA-N |
| Molecular Weight | 308.337 g/mol |
| SMILES | N(C(C1=CC=2C=CC=CC2N1)=O)C(C(=O)O)CC=1C=CC=CC1 |