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2-Butanone, 3,3-dimethyl-1-[4-[[4-(phenylmethoxy)phenyl]sulfonyl]phenoxy]-
SpectraBase Compound ID CKcn8Z9XSSI
InChI InChI=1S/C25H26O5S/c1-25(2,3)24(26)18-30-21-11-15-23(16-12-21)31(27,28)22-13-9-20(10-14-22)29-17-19-7-5-4-6-8-19/h4-16H,17-18H2,1-3H3
InChIKey LOCNUISYXBNLJU-UHFFFAOYSA-N
Mol Weight 438.54 g/mol
Molecular Formula C25H26O5S
Exact Mass 438.150095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GY0Isk23Bb3
Name 2-Butanone, 3,3-dimethyl-1-[4-[[4-(phenylmethoxy)phenyl]sulfonyl]phenoxy]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26O5S
InChI InChI=1S/C25H26O5S/c1-25(2,3)24(26)18-30-21-11-15-23(16-12-21)31(27,28)22-13-9-20(10-14-22)29-17-19-7-5-4-6-8-19/h4-16H,17-18H2,1-3H3
InChIKey LOCNUISYXBNLJU-UHFFFAOYSA-N
Molecular Weight 438.538 g/mol
SMILES CC(C)(C)C(=O)COc1ccc(cc1)S(=O)(=O)c1ccc(OCc2ccccc2)cc1
SPLASH splash10-0006-9010000000-4fb21cd388d070235880
Source of Spectrum JX-2015-4-467
Synonyms 1-(4-((4-(benzyloxy)phenyl)sulfonyl)phenoxy)-3,3-dimethylbutan-2-one 1-(4-{[4-(benzyloxy)phenyl]sulfonyl}phenoxy)-3,3-dimethylbutan-2-one 3,3-Dimethyl-1-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]-2-butanone 1-[4-(4-benzyloxyphenyl)sulfonylphenoxy]-3,3-dimethyl-butan-2-one 3,3-Dimethyl-1-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]butan-2-one
Wiley ID 1725901