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Pentanoic acid, 4,4-dimethyl-3-oxo-2-[4-[[3-(phenylmethoxy)phenyl]sulfonyl]phenoxy]-, methyl ester
SpectraBase Compound ID GWT0dbOtD3B
InChI InChI=1S/C27H28O7S/c1-27(2,3)25(28)24(26(29)32-4)34-20-13-15-22(16-14-20)35(30,31)23-12-8-11-21(17-23)33-18-19-9-6-5-7-10-19/h5-17,24H,18H2,1-4H3
InChIKey LLWVCINVFHPCJI-UHFFFAOYSA-N
Mol Weight 496.57 g/mol
Molecular Formula C27H28O7S
Exact Mass 496.155574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KTm704PEECy
Name Pentanoic acid, 4,4-dimethyl-3-oxo-2-[4-[[3-(phenylmethoxy)phenyl]sulfonyl]phenoxy]-, methyl ester
Alternate Name(s) Methyl 2-(4-((3-(benzyloxy)phenyl)sulfonyl)phenoxy)-4,4-dimethyl-3-oxopentanoate Methyl 2-(4-{[3-(benzyloxy)phenyl]sulfonyl}phenoxy)-4,4-dimethyl-3-oxopentanoate 4,4-Dimethyl-3-oxo-2-[4-(3-phenylmethoxyphenyl)sulfonylphenoxy]pentanoic acid methyl ester Methyl 4,4-dimethyl-3-oxo-2-[4-(3-phenylmethoxyphenyl)sulfonylphenoxy]pentanoate Methyl 2-[4-(3-benzyloxyphenyl)sulfonylphenoxy]-4,4-dimethyl-3-oxo-pentanoate Methyl 4,4-dimethyl-3-oxidanylidene-2-[4-(3-phenylmethoxyphenyl)sulfonylphenoxy]pentanoate
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Formula C27H28O7S
InChI InChI=1S/C27H28O7S/c1-27(2,3)25(28)24(26(29)32-4)34-20-13-15-22(16-14-20)35(30,31)23-12-8-11-21(17-23)33-18-19-9-6-5-7-10-19/h5-17,24H,18H2,1-4H3
InChIKey LLWVCINVFHPCJI-UHFFFAOYSA-N
Molecular Weight 496.574 g/mol
SMILES COC(=O)C(Oc1ccc(cc1)S(=O)(=O)c1cccc(OCc2ccccc2)c1)C(=O)C(C)(C)C
SPLASH splash10-0006-9001000000-a7cc47f705dbf65f48ce
Source of Spectrum JX-2015-4-924
Wiley ID 1726335