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Threo-1,2-diphenyl-1-methylthio-2-chloroethane

View entire compound with spectra: 1 FTIR, and 4 MS (GC)

Threo-1,2-diphenyl-1-methylthio-2-chloroethane
SpectraBase Compound ID Bjp2nyWCQ2C
InChI InChI=1S/C15H15ClS/c1-17-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h2-11,14-15H,1H3
InChIKey HRQHTMXGTMLIMB-UHFFFAOYSA-N
Mol Weight 262.8 g/mol
Molecular Formula C15H15ClS
Exact Mass 262.058299 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9J4FFUoALc
Name Threo-1,2-diphenyl-1-methylthio-2-chloroethane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 262.058299357 u
Formula C15H15ClS
InChI InChI=1S/C15H15ClS/c1-17-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h2-11,14-15H,1H3
InChIKey HRQHTMXGTMLIMB-UHFFFAOYSA-N
Molecular Weight 262.798 g/mol
SMILES C(C(C1=CC=CC=C1)Cl)(C1=CC=CC=C1)SC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.979209