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1,2-Bis(1-phenylsulfonylcyclohepten-2-yl)ethane

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

1,2-Bis(1-phenylsulfonylcyclohepten-2-yl)ethane
SpectraBase Compound ID DQ2IflssqGP
InChI InChI=1S/C28H34O4S2/c29-33(30,25-15-7-3-8-16-25)27-19-11-1-5-13-23(27)21-22-24-14-6-2-12-20-28(24)34(31,32)26-17-9-4-10-18-26/h3-4,7-10,15-18H,1-2,5-6,11-14,19-22H2
InChIKey JEKXIUULDLCDQG-UHFFFAOYSA-N
Mol Weight 498.7 g/mol
Molecular Formula C28H34O4S2
Exact Mass 498.189852 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Jijx55XJjR
Name 1,2-bis(1-Phenylsulfonylcyclohepten-2-yl)ethane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 498.189851919 u
Formula C28H34O4S2
InChI InChI=1S/C28H34O4S2/c29-33(30,25-15-7-3-8-16-25)27-19-11-1-5-13-23(27)21-22-24-14-6-2-12-20-28(24)34(31,32)26-17-9-4-10-18-26/h3-4,7-10,15-18H,1-2,5-6,11-14,19-22H2
InChIKey JEKXIUULDLCDQG-UHFFFAOYSA-N
Molecular Weight 498.696 g/mol
SMILES C1(S(=O)(=O)C2=CC=CC=C2)=C(CCC2=C(S(=O)(=O)C3=CC=CC=C3)CCCCC2)CCCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.869907