| SpectraBase Compound ID | GZQKhVWDnFj |
|---|---|
| InChI | InChI=1S/C16H13NS2/c1-17-14(12-8-4-2-5-9-12)16(18)19-15(17)13-10-6-3-7-11-13/h2-11H,1H3 |
| InChIKey | XZQWGQGBFPZZFU-UHFFFAOYSA-N |
| Mol Weight | 283.41 g/mol |
| Molecular Formula | C16H13NS2 |
| Exact Mass | 283.048942 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1IUcrj6lUAc |
|---|---|
| Name | Mesoionic 2,4-diphenyl-3-methyl-1,3-thiazolium-5-thioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.048941771 u |
| Formula | C16H13NS2 |
| InChI | InChI=1S/C16H13NS2/c1-17-14(12-8-4-2-5-9-12)16(18)19-15(17)13-10-6-3-7-11-13/h2-11H,1H3 |
| InChIKey | XZQWGQGBFPZZFU-UHFFFAOYSA-N |
| Molecular Weight | 283.407 g/mol |
| SMILES | C1(=[N+](C(=C(S1)[S-])C1=CC=CC=C1)C)C=1C=CC=CC1 |