| SpectraBase Compound ID | 31dOmSHrKVh |
|---|---|
| InChI | InChI=1S/C8H11N3S/c1-2-5-11-7(6-3-4-6)9-10-8(11)12/h2,6H,1,3-5H2,(H,10,12) |
| InChIKey | RNUJNNAYOBDOLY-UHFFFAOYSA-N |
| Mol Weight | 181.26 g/mol |
| Molecular Formula | C8H11N3S |
| Exact Mass | 181.067369 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | uEkVmDEM8C |
|---|---|
| Name | 4-Allyl-5-cyclopropyl-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 | 181.067368540 u |
| Formula | C8H11N3S |
| InChI | InChI=1S/C8H11N3S/c1-2-5-11-7(6-3-4-6)9-10-8(11)12/h2,6H,1,3-5H2,(H,10,12) |
| InChIKey | RNUJNNAYOBDOLY-UHFFFAOYSA-N |
| Molecular Weight | 181.257 g/mol |
| SMILES | SC=1N(C(=NN1)C1CC1)CC=C |