| SpectraBase Compound ID | A5XNVaI86yn |
|---|---|
| InChI | InChI=1S/C14H17N3O2S2/c1-21(18,19)17-9-7-16(8-10-17)14-15-13(11-20-14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3 |
| InChIKey | JOEFKWBADBWUBG-UHFFFAOYSA-N |
| Mol Weight | 323.43 g/mol |
| Molecular Formula | C14H17N3O2S2 |
| Exact Mass | 323.076219 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FK88gvX99uA |
|---|---|
| Name | Piperazine, 1-methylsulfonyl-4-(4-phenyl-2-thiazolyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.076219145 u |
| Formula | C14H17N3O2S2 |
| InChI | InChI=1S/C14H17N3O2S2/c1-21(18,19)17-9-7-16(8-10-17)14-15-13(11-20-14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3 |
| InChIKey | JOEFKWBADBWUBG-UHFFFAOYSA-N |
| Molecular Weight | 323.429 g/mol |
| SMILES | C1=CC=C(C=C1)C=1N=C(N2CCN(CC2)S(C)(=O)=O)SC1 |