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1-(benzylsulfonyl)-4-bromobenzene
SpectraBase Compound ID Kz87pfGl1cD
InChI InChI=1S/C13H11BrO2S/c14-12-6-8-13(9-7-12)17(15,16)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey NQWTVQBNZKSSSC-UHFFFAOYSA-N
Mol Weight 311.19 g/mol
Molecular Formula C13H11BrO2S
Exact Mass 309.966314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I3VocjG6r7S
Name 1-(benzylsulfonyl)-4-bromobenzene
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11BrO2S
InChI InChI=1S/C13H11BrO2S/c14-12-6-8-13(9-7-12)17(15,16)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey NQWTVQBNZKSSSC-UHFFFAOYSA-N
Instrument Name Agilent Technologies GC/MS-5973N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202000425
Molecular Weight 311.193 g/mol
SMILES C(S(c1ccc(cc1)Br)(=O)=O)c1ccccc1
SPLASH splash10-0006-9000000000-c2d8823b0620aceed4c9
Source of Spectrum U1-2020-SM5-4n
Thin-Layer Chromatography Rf = 0.47 (hexane/ethyl acetate, 7:3)
Wiley ID 1860653