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2-Butanone, 1-[4-[(4-hydroxyphenyl)sulfonyl]phenoxy]-3,3-dimethyl-
SpectraBase Compound ID 5U6gBmWHkVV
InChI InChI=1S/C18H20O5S/c1-18(2,3)17(20)12-23-14-6-10-16(11-7-14)24(21,22)15-8-4-13(19)5-9-15/h4-11,19H,12H2,1-3H3
InChIKey QIVIFPSQVOYFHD-UHFFFAOYSA-N
Mol Weight 348.41 g/mol
Molecular Formula C18H20O5S
Exact Mass 348.103145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7EeWV2lXEUy
Name 2-Butanone, 1-[4-[(4-hydroxyphenyl)sulfonyl]phenoxy]-3,3-dimethyl-
Alternate Name(s) 1-(4-((4-hydroxyphenyl)sulfonyl)phenoxy)-3,3-dimethylbutan-2-one 1-{4-[(4-hydroxyphenyl)sulfonyl]phenoxy}-3,3-dimethylbutan-2-one 1-[4-(4-hydroxyphenyl)sulfonylphenoxy]-3,3-dimethyl-2-butanone 1-[4-(4-hydroxyphenyl)sulfonylphenoxy]-3,3-dimethylbutan-2-one
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Formula C18H20O5S
InChI InChI=1S/C18H20O5S/c1-18(2,3)17(20)12-23-14-6-10-16(11-7-14)24(21,22)15-8-4-13(19)5-9-15/h4-11,19H,12H2,1-3H3
InChIKey QIVIFPSQVOYFHD-UHFFFAOYSA-N
Molecular Weight 348.413 g/mol
SMILES Oc1ccc(S(c2ccc(OCC(C(C)(C)C)=O)cc2)(=O)=O)cc1
SPLASH splash10-0bt9-9140000000-83515b2833aca2cfa1e6
Source of Spectrum JX-2015-3-1017
Wiley ID 1724535