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2-(2-([1,1'-biphenyl]-4-yl)-3-methylbutan-2-yl)-5-chlorothiophene
SpectraBase Compound ID A4wMQYiloT8
InChI InChI=1S/C21H21ClS/c1-15(2)21(3,19-13-14-20(22)23-19)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-15H,1-3H3
InChIKey OQSHGIDMNOGRND-UHFFFAOYSA-N
Mol Weight 340.91 g/mol
Molecular Formula C21H21ClS
Exact Mass 340.10525 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AG6iBlwpZYv
Name 2-(2-([1,1'-biphenyl]-4-yl)-3-methylbutan-2-yl)-5-chlorothiophene
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21ClS
InChI InChI=1S/C21H21ClS/c1-15(2)21(3,19-13-14-20(22)23-19)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-15H,1-3H3
InChIKey OQSHGIDMNOGRND-UHFFFAOYSA-N
Instrument Name Agilent 7890A-5975C VL MSD
Ionization Type EI
Literature Reference DOI 10.1002/anie.202016268
Molecular Weight 340.912 g/mol
SMILES c1(C(C(C)C)(c2sc(cc2)Cl)C)ccc(cc1)-c1ccccc1
SPLASH splash10-0002-0190000000-0486a1fafbd74aff399b
Source of Spectrum ACI-60-SM38-4w
Wiley ID 1880290