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4-(4-Chlorobenzoyl)phenyl (methylthio)ethanoate

View entire compound with spectra: 1 NMR, and 1 FTIR

4-(4-Chlorobenzoyl)phenyl (methylthio)ethanoate
SpectraBase Compound ID 4nQrXFhrqMD
InChI InChI=1S/C16H13ClO3S/c1-21-10-15(18)20-14-8-4-12(5-9-14)16(19)11-2-6-13(17)7-3-11/h2-9H,10H2,1H3
InChIKey RJRNKAJBIIVUPL-UHFFFAOYSA-N
Mol Weight 320.79 g/mol
Molecular Formula C16H13ClO3S
Exact Mass 320.027393 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID A7PSNR0l5Ax
Name 4-(4-Chlorobenzoyl)phenyl (methylthio)ethanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.027393150 u
Formula C16H13ClO3S
InChI InChI=1S/C16H13ClO3S/c1-21-10-15(18)20-14-8-4-12(5-9-14)16(19)11-2-6-13(17)7-3-11/h2-9H,10H2,1H3
InChIKey RJRNKAJBIIVUPL-UHFFFAOYSA-N
Molecular Weight 320.790 g/mol
SMILES C1=CC(=CC=C1C(C1=CC=C(C=C1)OC(=O)CSC)=O)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.928979