| SpectraBase Compound ID | CKccRP4cGIe |
|---|---|
| InChI | InChI=1S/C15H11N5S/c1-2-6-11(7-3-1)20-10-14(21-15-16-18-19-17-15)12-8-4-5-9-13(12)20/h1-10H,(H,16,17,18,19) |
| InChIKey | KVMRBXWMXLOFLO-UHFFFAOYSA-N |
| Mol Weight | 293.35 g/mol |
| Molecular Formula | C15H11N5S |
| Exact Mass | 293.073517 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Lo9M1LXlFJ |
|---|---|
| Name | 3-((1H-Tetrazol-5-yl)thio)-1-phenyl-1H-indole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.073516548 u |
| Formula | C15H11N5S |
| InChI | InChI=1S/C15H11N5S/c1-2-6-11(7-3-1)20-10-14(21-15-16-18-19-17-15)12-8-4-5-9-13(12)20/h1-10H,(H,16,17,18,19) |
| InChIKey | KVMRBXWMXLOFLO-UHFFFAOYSA-N |
| Molecular Weight | 293.348 g/mol |
| SMILES | C1=CC=C2C(=C1)C(SC=1NN=NN1)=CN2C1=CC=CC=C1 |