| SpectraBase Compound ID | JSnNHRqVPob |
|---|---|
| InChI | InChI=1S/C13H18N2O4S/c1-19-13(18)11(7-20)15-12(17)10(14)6-8-2-4-9(16)5-3-8/h2-5,10-11,16,20H,6-7,14H2,1H3,(H,15,17) |
| InChIKey | NXBUACCEJNGASA-UHFFFAOYSA-N |
| Mol Weight | 298.36 g/mol |
| Molecular Formula | C13H18N2O4S |
| Exact Mass | 298.098728 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | CAVdL7eTuHP |
|---|---|
| Name | Tyrosyl-cysteine methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.098728238 u |
| Formula | C13H18N2O4S |
| InChI | InChI=1S/C13H18N2O4S/c1-19-13(18)11(7-20)15-12(17)10(14)6-8-2-4-9(16)5-3-8/h2-5,10-11,16,20H,6-7,14H2,1H3,(H,15,17) |
| InChIKey | NXBUACCEJNGASA-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC(=C1)O)CC(C(NC(C(OC)=O)CS)=O)N |