| SpectraBase Compound ID | APItdcpwmoq |
|---|---|
| InChI | InChI=1S/C14H9Cl2FN4S/c15-10-3-1-9(2-4-10)8-22-14-18-19-20-21(14)11-5-6-13(17)12(16)7-11/h1-7H,8H2 |
| InChIKey | LBPCOUOLUDKEGU-UHFFFAOYSA-N |
| Mol Weight | 355.22 g/mol |
| Molecular Formula | C14H9Cl2FN4S |
| Exact Mass | 353.990901 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JJAbrlnME4K |
|---|---|
| Name | Tetrazole, 5-(4-chlorobenzylthio)-1-(3-chloro-4-fluorophenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 353.990901043 u |
| Formula | C14H9Cl2FN4S |
| InChI | InChI=1S/C14H9Cl2FN4S/c15-10-3-1-9(2-4-10)8-22-14-18-19-20-21(14)11-5-6-13(17)12(16)7-11/h1-7H,8H2 |
| InChIKey | LBPCOUOLUDKEGU-UHFFFAOYSA-N |
| Molecular Weight | 355.218 g/mol |
| SMILES | C1=CC(Cl)=CC=C1CSC=1N(C2=CC(Cl)=C(C=C2)F)N=NN1 |