| SpectraBase Compound ID | EK58KQPmSfC |
|---|---|
| InChI | InChI=1S/3C6H5.C2H3N4.Sn/c3*1-2-4-6-5-3-1;3-2-4-1-5-6-2;/h3*1-5H;1H,(H2-,3,4,5,6);/q;;;-1;+1 |
| InChIKey | XCCBQCMWXAMGIH-UHFFFAOYSA-N |
| Mol Weight | 433.1 g/mol |
| Molecular Formula | C20H18N4Sn |
| Exact Mass | 434.055349 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DX7TQfz7bwS |
|---|---|
| Name | (3-Amino-1H-1,2,4-triazol-1-yl)triphenyltin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 434.055348596 u |
| Formula | C20H18N4Sn |
| InChI | InChI=1S/3C6H5.C2H3N4.Sn/c3*1-2-4-6-5-3-1;3-2-4-1-5-6-2;/h3*1-5H;1H,(H2-,3,4,5,6);/q;;;-1;+1 |
| InChIKey | XCCBQCMWXAMGIH-UHFFFAOYSA-N |
| Molecular Weight | 433.103 g/mol |
| SMILES | NC1=NN([Sn](C=2C=CC=CC2)(C=2C=CC=CC2)C=2C=CC=CC2)C=N1 |