| SpectraBase Compound ID | 5bS17KQdorT |
|---|---|
| InChI | InChI=1S/C13H16N2O3/c1-2-18-13(16)12(15-17)7-9-8-14-11-6-4-3-5-10(9)11/h3-6,8,12,14-15,17H,2,7H2,1H3 |
| InChIKey | DPTOQQRDAUSUOU-UHFFFAOYSA-N |
| Mol Weight | 248.28 g/mol |
| Molecular Formula | C13H16N2O3 |
| Exact Mass | 248.116092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8tQKOTH036v |
|---|---|
| Name | Tryptophan, N-hydroxy-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.116092380 u |
| Formula | C13H16N2O3 |
| InChI | InChI=1S/C13H16N2O3/c1-2-18-13(16)12(15-17)7-9-8-14-11-6-4-3-5-10(9)11/h3-6,8,12,14-15,17H,2,7H2,1H3 |
| InChIKey | DPTOQQRDAUSUOU-UHFFFAOYSA-N |
| Molecular Weight | 248.282 g/mol |
| SMILES | N1C=2C(C(CC(C(=O)OCC)NO)=C1)=CC=CC2 |