| SpectraBase Compound ID | 461cmkUMODv |
|---|---|
| InChI | InChI=1S/C10H11IN4S/c1-7(2)16-10-12-13-14-15(10)9-5-3-8(11)4-6-9/h3-7H,1-2H3 |
| InChIKey | GDUIQJGOYMPVOL-UHFFFAOYSA-N |
| Mol Weight | 346.19 g/mol |
| Molecular Formula | C10H11IN4S |
| Exact Mass | 345.974913 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EVx50joWIlN |
|---|---|
| Name | 1-(4'-Iodophenyl)-5-(isopropylsulfanyl)-1H-tetrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 345.974912544 u |
| Formula | C10H11IN4S |
| InChI | InChI=1S/C10H11IN4S/c1-7(2)16-10-12-13-14-15(10)9-5-3-8(11)4-6-9/h3-7H,1-2H3 |
| InChIKey | GDUIQJGOYMPVOL-UHFFFAOYSA-N |
| Molecular Weight | 346.190 g/mol |
| SMILES | C=1(N(N=NN1)C=1C=CC(=CC1)I)SC(C)C |