SpectraBase Compound ID | CbhtmcXbYKU |
---|---|
InChI | InChI=1S/C8H9NOS/c1-2-9-5-3-4-7(6-10)8(9)11/h3-6H,2H2,1H3 |
InChIKey | FLVSCQLPISOGJN-UHFFFAOYSA-N |
Mol Weight | 167.23 g/mol |
Molecular Formula | C8H9NOS |
Exact Mass | 167.040485 g/mol |
SpectraBase Spectrum ID | JAGiZ4LjU0Q |
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Name | 3-Formyl-1-ethyl-2(1H)-pyridinethione |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 167.040485087 u |
Formula | C8H9NOS |
InChI | InChI=1S/C8H9NOS/c1-2-9-5-3-4-7(6-10)8(9)11/h3-6H,2H2,1H3 |
InChIKey | FLVSCQLPISOGJN-UHFFFAOYSA-N |
Molecular Weight | 167.226 g/mol |
SMILES | C1=CN(C(C(=C1)C=O)=S)CC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958621 |