| SpectraBase Compound ID | 8pCvb3LAm9z |
|---|---|
| InChI | InChI=1S/C19H22N2O4S/c20-16(10-13-6-8-15(22)9-7-13)18(23)21-17(19(24)25)12-26-11-14-4-2-1-3-5-14/h1-9,16-17,22H,10-12,20H2,(H,21,23)(H,24,25) |
| InChIKey | YHPNXVQNEFZJFI-UHFFFAOYSA-N |
| Mol Weight | 374.46 g/mol |
| Molecular Formula | C19H22N2O4S |
| Exact Mass | 374.130028 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8ZYypxteLkF |
|---|---|
| Name | Tyrosyl-S-benzylcysteine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.130028366 u |
| Formula | C19H22N2O4S |
| InChI | InChI=1S/C19H22N2O4S/c20-16(10-13-6-8-15(22)9-7-13)18(23)21-17(19(24)25)12-26-11-14-4-2-1-3-5-14/h1-9,16-17,22H,10-12,20H2,(H,21,23)(H,24,25) |
| InChIKey | YHPNXVQNEFZJFI-UHFFFAOYSA-N |
| Molecular Weight | 374.455 g/mol |
| SMILES | C(N)(C(NC(C(O)=O)CSCC1=CC=CC=C1)=O)CC1=CC=C(C=C1)O |