| SpectraBase Compound ID | 1cpELNjYgS |
|---|---|
| InChI | InChI=1S/C13H16N2O4S/c14-11(20)7-6-10(12(16)17)15-13(18)19-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,20)(H,15,18)(H,16,17) |
| InChIKey | CNHVWGZJBXFWLW-UHFFFAOYSA-N |
| Mol Weight | 296.34 g/mol |
| Molecular Formula | C13H16N2O4S |
| Exact Mass | 296.083078 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Eqe0vhzYlUy |
|---|---|
| Name | Thioglutamine, N-benzyloxycarbonyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.083078173 u |
| Formula | C13H16N2O4S |
| InChI | InChI=1S/C13H16N2O4S/c14-11(20)7-6-10(12(16)17)15-13(18)19-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,20)(H,15,18)(H,16,17) |
| InChIKey | CNHVWGZJBXFWLW-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC=C1)COC(NC(C(O)=O)CCC(=S)N)=O |