| SpectraBase Compound ID | 1Aq8Jq6uonP |
|---|---|
| InChI | InChI=1S/C14H28N2O4S2/c1-13(2,3)19-11(17)9(15)7-21-22-8-10(16)12(18)20-14(4,5)6/h9-10H,7-8,15-16H2,1-6H3 |
| InChIKey | KVVSTQBOEJNEKY-UHFFFAOYSA-N |
| Mol Weight | 352.51 g/mol |
| Molecular Formula | C14H28N2O4S2 |
| Exact Mass | 352.14905 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ARJr7sVCyJw |
|---|---|
| Name | Cystine, di-T-butyl(ester) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.149049734 u |
| Formula | C14H28N2O4S2 |
| InChI | InChI=1S/C14H28N2O4S2/c1-13(2,3)19-11(17)9(15)7-21-22-8-10(16)12(18)20-14(4,5)6/h9-10H,7-8,15-16H2,1-6H3 |
| InChIKey | KVVSTQBOEJNEKY-UHFFFAOYSA-N |
| Molecular Weight | 352.508 g/mol |
| SMILES | C(C(N)C(=O)OC(C)(C)C)SSCC(N)C(OC(C)(C)C)=O |