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(S,S)-(+)-bis(2-phenyl-2-chloroethyl)sulfide

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

(S,S)-(+)-bis(2-phenyl-2-chloroethyl)sulfide
SpectraBase Compound ID 7cciYMoLCjO
InChI InChI=1S/C16H16Cl2S/c17-15(13-7-3-1-4-8-13)11-19-12-16(18)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2/t15-,16-/m1/s1
InChIKey MGLBJPXSLJNFAG-HZPDHXFCSA-N
Mol Weight 311.27 g/mol
Molecular Formula C16H16Cl2S
Exact Mass 310.034977 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IwUMRQmWz4w
Name (S,S)-(+)-bis(2-phenyl-2-chloroethyl)sulfide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.034977089 u
Formula C16H16Cl2S
InChI InChI=1S/C16H16Cl2S/c17-15(13-7-3-1-4-8-13)11-19-12-16(18)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2/t15-,16-/m1/s1
InChIKey MGLBJPXSLJNFAG-HZPDHXFCSA-N
Molecular Weight 311.270 g/mol
SMILES C(SC[C@](C=1C=CC=CC1)(Cl)[H])[C@](C=1C=CC=CC1)(Cl)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.980235