| SpectraBase Compound ID | sAfT8L3APG |
|---|---|
| InChI | InChI=1S/C13H15ClN2O2/c1-2-18-13(17)10(15)6-8-7-16-11-5-3-4-9(14)12(8)11/h3-5,7,10,16H,2,6,15H2,1H3 |
| InChIKey | DSBTXIRXYFGAAW-UHFFFAOYSA-N |
| Mol Weight | 266.73 g/mol |
| Molecular Formula | C13H15ClN2O2 |
| Exact Mass | 266.082205 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CaumzECeTFU |
|---|---|
| Name | Tryptophan, 4-chloro-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.082205429 u |
| Formula | C13H15ClN2O2 |
| InChI | InChI=1S/C13H15ClN2O2/c1-2-18-13(17)10(15)6-8-7-16-11-5-3-4-9(14)12(8)11/h3-5,7,10,16H,2,6,15H2,1H3 |
| InChIKey | DSBTXIRXYFGAAW-UHFFFAOYSA-N |
| Molecular Weight | 266.728 g/mol |
| SMILES | C1=CC(=C2C(=C1)NC=C2CC(N)C(=O)OCC)Cl |