![1-piperazinecarbothioamide, N-methyl-4-[2-(4-morpholinyl)-2-oxoethyl]-](/api/spectrum/AWZFtwhpxAt/structure.png?h=300&w=458 "1-piperazinecarbothioamide, N-methyl-4-[2-(4-morpholinyl)-2-oxoethyl]-")
| SpectraBase Compound ID | FH7d5Ikb4wt |
|---|---|
| InChI | InChI=1S/C12H22N4O2S/c1-13-12(19)16-4-2-14(3-5-16)10-11(17)15-6-8-18-9-7-15/h2-10H2,1H3,(H,13,19) |
| InChIKey | ZKHGVESOQRJWRA-UHFFFAOYSA-N |
| Mol Weight | 286.39 g/mol |
| Molecular Formula | C12H22N4O2S |
| Exact Mass | 286.146347 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AWZFtwhpxAt |
|---|---|
| Name | 1-Piperazinecarbothioamide, N-methyl-4-[2-(4-morpholinyl)-2-oxoethyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.146347136 u |
| Formula | C12H22N4O2S |
| InChI | InChI=1S/C12H22N4O2S/c1-13-12(19)16-4-2-14(3-5-16)10-11(17)15-6-8-18-9-7-15/h2-10H2,1H3,(H,13,19) |
| InChIKey | ZKHGVESOQRJWRA-UHFFFAOYSA-N |
| Molecular Weight | 286.394 g/mol |
| SMILES | N(C(N1CCN(CC1)CC(N1CCOCC1)=O)=S)C |