| SpectraBase Compound ID | 65FuvXqiImy |
|---|---|
| InChI | InChI=1S/C11H13N3S/c1-2-8-14-10(12-13-11(14)15)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,15) |
| InChIKey | ANGVLMVJJZIJFZ-UHFFFAOYSA-N |
| Mol Weight | 219.31 g/mol |
| Molecular Formula | C11H13N3S |
| Exact Mass | 219.083019 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L11FUPUf2VH |
|---|---|
| Name | 5-Phenyl-4-propyl-4H-1,2,4-triazol-3-yl hydrosulfide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.083018605 u |
| Formula | C11H13N3S |
| InChI | InChI=1S/C11H13N3S/c1-2-8-14-10(12-13-11(14)15)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,15) |
| InChIKey | ANGVLMVJJZIJFZ-UHFFFAOYSA-N |
| Molecular Weight | 219.306 g/mol |
| SMILES | C=1(S)N(C(=NN1)C1=CC=CC=C1)CCC |