| SpectraBase Compound ID | Fy14h6CbDMs |
|---|---|
| InChI | InChI=1S/C11H13IN4S/c1-2-3-8-17-11-13-14-15-16(11)10-6-4-9(12)5-7-10/h4-7H,2-3,8H2,1H3 |
| InChIKey | NENUKSLFCIOQLS-UHFFFAOYSA-N |
| Mol Weight | 360.22 g/mol |
| Molecular Formula | C11H13IN4S |
| Exact Mass | 359.990563 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EVlUb5sC6E6 |
|---|---|
| Name | 1-(4'-Iodophenyl)-5-(butylsulfanyl)-1H-tetrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 359.990562609 u |
| Formula | C11H13IN4S |
| InChI | InChI=1S/C11H13IN4S/c1-2-3-8-17-11-13-14-15-16(11)10-6-4-9(12)5-7-10/h4-7H,2-3,8H2,1H3 |
| InChIKey | NENUKSLFCIOQLS-UHFFFAOYSA-N |
| Molecular Weight | 360.217 g/mol |
| SMILES | C=1(N(N=NN1)C=1C=CC(=CC1)I)SCCCC |