SpectraBase Compound ID | 6XLH6gjAMmK |
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InChI | InChI=1S/C18H15NS/c1-19-17(14-8-4-2-5-9-14)12-16(20)13-18(19)15-10-6-3-7-11-15/h2-13H,1H3 |
InChIKey | FFQGNRYRFKVRPW-UHFFFAOYSA-N |
Mol Weight | 277.38 g/mol |
Molecular Formula | C18H15NS |
Exact Mass | 277.092521 g/mol |
SpectraBase Spectrum ID | BoggrpSsBmY |
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Name | 4(1H)-Pyridinethione, 1-methyl-2,6-diphenyl- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 277.092520661 u |
Formula | C18H15NS |
InChI | InChI=1S/C18H15NS/c1-19-17(14-8-4-2-5-9-14)12-16(20)13-18(19)15-10-6-3-7-11-15/h2-13H,1H3 |
InChIKey | FFQGNRYRFKVRPW-UHFFFAOYSA-N |
SMILES | CN1C(=CC(C=C1C1=CC=CC=C1)=S)C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963325 |