| SpectraBase Compound ID | 5a1RyiC2b9n |
|---|---|
| InChI | InChI=1S/C13H18N4S/c1-2-6-15-13(18)17-10-8-16(9-11-17)12-5-3-4-7-14-12/h2-5,7H,1,6,8-11H2,(H,15,18) |
| InChIKey | UYFIWNLURQRZFP-UHFFFAOYSA-N |
| Mol Weight | 262.37 g/mol |
| Molecular Formula | C13H18N4S |
| Exact Mass | 262.125218 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I0l1Cictpyr |
|---|---|
| Name | N-Allyl-4-(2-pyridinyl)-1-piperazinecarbothioamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.125217770 u |
| Formula | C13H18N4S |
| InChI | InChI=1S/C13H18N4S/c1-2-6-15-13(18)17-10-8-16(9-11-17)12-5-3-4-7-14-12/h2-5,7H,1,6,8-11H2,(H,15,18) |
| InChIKey | UYFIWNLURQRZFP-UHFFFAOYSA-N |
| Molecular Weight | 262.375 g/mol |
| SMILES | N(C(N1CCN(CC1)C=1N=CC=CC1)=S)CC=C |