| SpectraBase Compound ID | 6mk6ik5TugD |
|---|---|
| InChI | InChI=1S/C16H16N2O3/c1-2-21-14(20)9-13(19)16-15-11(7-8-17-16)10-5-3-4-6-12(10)18-15/h3-8,13,18-19H,2,9H2,1H3 |
| InChIKey | ITDAUHUOLDLBAV-UHFFFAOYSA-N |
| Mol Weight | 284.31 g/mol |
| Molecular Formula | C16H16N2O3 |
| Exact Mass | 284.116092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bi76Wypq6Es |
|---|---|
| Name | 3-(9H-$B-Carbolin-1-yl)-3-hydroxy-propionic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.116092380 u |
| Formula | C16H16N2O3 |
| InChI | InChI=1S/C16H16N2O3/c1-2-21-14(20)9-13(19)16-15-11(7-8-17-16)10-5-3-4-6-12(10)18-15/h3-8,13,18-19H,2,9H2,1H3 |
| InChIKey | ITDAUHUOLDLBAV-UHFFFAOYSA-N |
| SMILES | C(CC(C1=NC=CC=2C=3C=CC=CC3NC12)O)(=O)OCC |