| SpectraBase Compound ID | 1DMekRPUkUA |
|---|---|
| InChI | InChI=1S/C12H15N5S/c1-18-12(15-10-13)17-8-6-16(7-9-17)11-4-2-3-5-14-11/h2-5H,6-9H2,1H3/b15-12- |
| InChIKey | SWMIZPSQIGXZEF-QINSGFPZSA-N |
| Mol Weight | 261.35 g/mol |
| Molecular Formula | C12H15N5S |
| Exact Mass | 261.104817 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G9Ujp2VYNsR |
|---|---|
| Name | N-Cyano-4-(2-pyridyl)thio-1-piperazinecarbimidic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.104816677 u |
| Formula | C12H15N5S |
| InChI | InChI=1S/C12H15N5S/c1-18-12(15-10-13)17-8-6-16(7-9-17)11-4-2-3-5-14-11/h2-5H,6-9H2,1H3/b15-12- |
| InChIKey | SWMIZPSQIGXZEF-QINSGFPZSA-N |
| SMILES | CS\C(N1CCN(C2=NC=CC=C2)CC1)=N/C#N |