| SpectraBase Compound ID | 2laugNdjn2T |
|---|---|
| InChI | InChI=1S/C7H14N4S/c1-2-3-4-5-12-7-9-6(8)10-11-7/h2-5H2,1H3,(H3,8,9,10,11) |
| InChIKey | OJPAOXDEZGVRKF-UHFFFAOYSA-N |
| Mol Weight | 186.28 g/mol |
| Molecular Formula | C7H14N4S |
| Exact Mass | 186.093918 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7MFQDzJcJpw |
|---|---|
| Name | 3-(Pentylsulfanyl)-1H-1,2,4-triazol-5-ylamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.093917641 u |
| Formula | C7H14N4S |
| InChI | InChI=1S/C7H14N4S/c1-2-3-4-5-12-7-9-6(8)10-11-7/h2-5H2,1H3,(H3,8,9,10,11) |
| InChIKey | OJPAOXDEZGVRKF-UHFFFAOYSA-N |
| Molecular Weight | 186.277 g/mol |
| SMILES | N1N=C(N=C1N)SCCCCC |