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anti-1-(2-Bromophenyl)-3,3-dimethyl-1-(p-toluenesulfonyl)-2-butanol
SpectraBase Compound ID ASTczQpkbFy
InChI InChI=1S/C19H23BrO3S/c1-13-9-11-14(12-10-13)24(22,23)17(18(21)19(2,3)4)15-7-5-6-8-16(15)20/h5-12,17-18,21H,1-4H3
InChIKey ZXPKECOEBOXSDA-UHFFFAOYSA-N
Mol Weight 411.35 g/mol
Molecular Formula C19H23BrO3S
Exact Mass 410.055129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FnnsPClNCfd
Name anti-1-(2-Bromophenyl)-3,3-dimethyl-1-(p-toluenesulfonyl)-2-butanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23BrO3S
InChI InChI=1S/C19H23BrO3S/c1-13-9-11-14(12-10-13)24(22,23)17(18(21)19(2,3)4)15-7-5-6-8-16(15)20/h5-12,17-18,21H,1-4H3
InChIKey ZXPKECOEBOXSDA-UHFFFAOYSA-N
Molecular Weight 411.354 g/mol
SMILES OC(C(S(=O)(=O)c1ccc(cc1)C)c1c(cccc1)Br)C(C)(C)C
SPLASH splash10-0ab9-3896000000-60a11784bb798965b7cc
Source of Spectrum J-67-5223-11
Synonyms 1-(2-bromophenyl)-3,3-dimethyl-1-[(4-methylphenyl)sulfonyl]-2-butanol
Wiley ID 1570376