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Ethanone, 1-(4-chloro-3-nitrophenyl)-2-(2-pyridylthio)-

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

Ethanone, 1-(4-chloro-3-nitrophenyl)-2-(2-pyridylthio)-
SpectraBase Compound ID KmhiUcmpAyd
InChI InChI=1S/C13H9ClN2O3S/c14-10-5-4-9(7-11(10)16(18)19)12(17)8-20-13-3-1-2-6-15-13/h1-7H,8H2
InChIKey UKFALEOULYJUJQ-UHFFFAOYSA-N
Mol Weight 308.74 g/mol
Molecular Formula C13H9ClN2O3S
Exact Mass 308.002241 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 25Z2aUh7Dkh
Name Ethanone, 1-(4-chloro-3-nitrophenyl)-2-(2-pyridylthio)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.002241029 u
Formula C13H9ClN2O3S
InChI InChI=1S/C13H9ClN2O3S/c14-10-5-4-9(7-11(10)16(18)19)12(17)8-20-13-3-1-2-6-15-13/h1-7H,8H2
InChIKey UKFALEOULYJUJQ-UHFFFAOYSA-N
Molecular Weight 308.739 g/mol
SMILES C1=CC=NC(=C1)SCC(C=1C=C(N(=O)=O)C(=CC1)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.928446