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2-(4-bromophenyl)-5-(1-(4-methoxyphenyl)-2-methylpropyl)thiophene
SpectraBase Compound ID Liaxn3tSehg
InChI InChI=1S/C21H21BrOS/c1-14(2)21(16-6-10-18(23-3)11-7-16)20-13-12-19(24-20)15-4-8-17(22)9-5-15/h4-14,21H,1-3H3
InChIKey DFQZUNCFFILGEG-UHFFFAOYSA-N
Mol Weight 401.36 g/mol
Molecular Formula C21H21BrOS
Exact Mass 400.049649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GvD28puKBch
Name 2-(4-bromophenyl)-5-(1-(4-methoxyphenyl)-2-methylpropyl)thiophene
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21BrOS
InChI InChI=1S/C21H21BrOS/c1-14(2)21(16-6-10-18(23-3)11-7-16)20-13-12-19(24-20)15-4-8-17(22)9-5-15/h4-14,21H,1-3H3
InChIKey DFQZUNCFFILGEG-UHFFFAOYSA-N
Instrument Name Agilent 7890A-5975C VL MSD
Ionization Type EI
Literature Reference DOI 10.1002/anie.202016268
Molecular Weight 401.362 g/mol
SMILES c1cc(ccc1OC)C(c1sc(cc1)-c1ccc(cc1)Br)C(C)C
SPLASH splash10-0a4i-0009000000-97cf3816e18f5e101957
Source of Spectrum ACI-60-SM44-5f
Wiley ID 1880300