| SpectraBase Compound ID | D2SBFtW0omM |
|---|---|
| InChI | InChI=1S/C13H8ClN5O2S/c14-11-8-10(19(20)21)6-7-12(11)22-13-15-16-17-18(13)9-4-2-1-3-5-9/h1-8H |
| InChIKey | WVKJHQPQXZQYNS-UHFFFAOYSA-N |
| Mol Weight | 333.75 g/mol |
| Molecular Formula | C13H8ClN5O2S |
| Exact Mass | 333.008723 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7VlzHe6bBcu |
|---|---|
| Name | Tetrazole, 5-(2-chloro-4-nitrophenylthio)-1-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.008723390 u |
| Formula | C13H8ClN5O2S |
| InChI | InChI=1S/C13H8ClN5O2S/c14-11-8-10(19(20)21)6-7-12(11)22-13-15-16-17-18(13)9-4-2-1-3-5-9/h1-8H |
| InChIKey | WVKJHQPQXZQYNS-UHFFFAOYSA-N |
| Molecular Weight | 333.753 g/mol |
| SMILES | C=1(N(C=2C=CC=CC2)N=NN1)SC=1C=CC(N(=O)=O)=CC1Cl |