| SpectraBase Compound ID | 8U7G4ExLrrF |
|---|---|
| InChI | InChI=1S/C13H16N2O2/c1-15-8-9(7-11(14)13(16)17-2)10-5-3-4-6-12(10)15/h3-6,8,11H,7,14H2,1-2H3 |
| InChIKey | KMSKYVDBQZIXDU-UHFFFAOYSA-N |
| Mol Weight | 232.28 g/mol |
| Molecular Formula | C13H16N2O2 |
| Exact Mass | 232.121178 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LJvI3PhVlm1 |
|---|---|
| Name | L-Tryptophan, N(1)-methyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.121177761 u |
| Formula | C13H16N2O2 |
| InChI | InChI=1S/C13H16N2O2/c1-15-8-9(7-11(14)13(16)17-2)10-5-3-4-6-12(10)15/h3-6,8,11H,7,14H2,1-2H3 |
| InChIKey | KMSKYVDBQZIXDU-UHFFFAOYSA-N |
| Molecular Weight | 232.283 g/mol |
| SMILES | C1=CC=CC2=C1C(CC(N)C(OC)=O)=CN2C |