| SpectraBase Compound ID | 73Wayq3fhk0 |
|---|---|
| InChI | InChI=1S/C8H17N3OS.C7H8O3S/c1-8(2,3)11-6(12)4-5-13-7(9)10;1-6-2-4-7(5-3-6)11(8,9)10/h4-5H2,1-3H3,(H3,9,10)(H,11,12);2-5H,1H3,(H,8,9,10) |
| InChIKey | ABPDYXOAYYTFDG-UHFFFAOYSA-N |
| Mol Weight | 375.5 g/mol |
| Molecular Formula | C15H25N3O4S2 |
| Exact Mass | 375.128649 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B0i1WYj4iZU |
|---|---|
| Name | 3-(Amidinothio)-N-tert-butylpropionamide, p-toluenesulfonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 375.128648641 u |
| Formula | C15H25N3O4S2 |
| InChI | InChI=1S/C8H17N3OS.C7H8O3S/c1-8(2,3)11-6(12)4-5-13-7(9)10;1-6-2-4-7(5-3-6)11(8,9)10/h4-5H2,1-3H3,(H3,9,10)(H,11,12);2-5H,1H3,(H,8,9,10) |
| InChIKey | ABPDYXOAYYTFDG-UHFFFAOYSA-N |
| SMILES | NC(SCCC(=O)NC(C)(C)C)=N.OS(C1=CC=C(C)C=C1)(=O)=O |