| SpectraBase Compound ID | D9jVChR3I5n |
|---|---|
| InChI | InChI=1S/C15H19N3O4S/c1-3-22-15(19)14(8-12-9-16-10-17-12)18-23(20,21)13-6-4-11(2)5-7-13/h4-7,9-10,14,18H,3,8H2,1-2H3,(H,16,17) |
| InChIKey | IXUFDLBHOUTKDP-UHFFFAOYSA-N |
| Mol Weight | 337.39 g/mol |
| Molecular Formula | C15H19N3O4S |
| Exact Mass | 337.109627 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1dTvGFBYs6q |
|---|---|
| Name | N(.alpha.)-Tosylhistidine ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 337.109627274 u |
| Formula | C15H19N3O4S |
| InChI | InChI=1S/C15H19N3O4S/c1-3-22-15(19)14(8-12-9-16-10-17-12)18-23(20,21)13-6-4-11(2)5-7-13/h4-7,9-10,14,18H,3,8H2,1-2H3,(H,16,17) |
| InChIKey | IXUFDLBHOUTKDP-UHFFFAOYSA-N |
| Molecular Weight | 337.394 g/mol |
| SMILES | C1=NC(=CN1)CC(NS(C1=CC=C(C=C1)C)(=O)=O)C(OCC)=O |