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2-[1-Hydroxy(3-pyridyl)methyl]-1-methylquinoline-4-thione

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

2-[1-Hydroxy(3-pyridyl)methyl]-1-methylquinoline-4-thione
SpectraBase Compound ID FVXQFSrDgQl
InChI InChI=1S/C16H14N2OS/c1-18-13-7-3-2-6-12(13)15(20)9-14(18)16(19)11-5-4-8-17-10-11/h2-10,16,19H,1H3
InChIKey DZUGFWOSWPUTLM-UHFFFAOYSA-N
Mol Weight 282.36 g/mol
Molecular Formula C16H14N2OS
Exact Mass 282.082684 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID E9B9UScoMMC
Name 2-[1-Hydroxy(3-pyridyl)methyl]-1-methylquinoline-4-thione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.082684252 u
Formula C16H14N2OS
InChI InChI=1S/C16H14N2OS/c1-18-13-7-3-2-6-12(13)15(20)9-14(18)16(19)11-5-4-8-17-10-11/h2-10,16,19H,1H3
InChIKey DZUGFWOSWPUTLM-UHFFFAOYSA-N
SMILES C=1(N(C=2C=CC=CC2C(C1)=S)C)C(C=1C=NC=CC1)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.911725