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2-[(4-Bromophenyl)sulfanyl]-1,3,5-trimethylbenzene

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

2-[(4-Bromophenyl)sulfanyl]-1,3,5-trimethylbenzene
SpectraBase Compound ID 6qWrpt09KeN
InChI InChI=1S/C15H15BrS/c1-10-8-11(2)15(12(3)9-10)17-14-6-4-13(16)5-7-14/h4-9H,1-3H3
InChIKey RTVFFPQCBCCSRB-UHFFFAOYSA-N
Mol Weight 307.25 g/mol
Molecular Formula C15H15BrS
Exact Mass 306.007785 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HUgUCT3hwvM
Name 2-[(4-Bromophenyl)sulfanyl]-1,3,5-trimethylbenzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.007784657 u
Formula C15H15BrS
InChI InChI=1S/C15H15BrS/c1-10-8-11(2)15(12(3)9-10)17-14-6-4-13(16)5-7-14/h4-9H,1-3H3
InChIKey RTVFFPQCBCCSRB-UHFFFAOYSA-N
Molecular Weight 307.249 g/mol
SMILES C=1(C(=C(C=C(C1)C)C)SC=1C=CC(=CC1)Br)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.836705