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2-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-2-oxoethyl 3,4-dimethoxybenzoate
SpectraBase Compound ID AeAkCL1E9nC
InChI InChI=1S/C22H25NO8S/c1-15-4-5-16(13-21(15)32(26,27)23-8-10-30-11-9-23)18(24)14-31-22(25)17-6-7-19(28-2)20(12-17)29-3/h4-7,12-13H,8-11,14H2,1-3H3
InChIKey VGADILUQHBTDHB-UHFFFAOYSA-N
Mol Weight 463.5 g/mol
Molecular Formula C22H25NO8S
Exact Mass 463.130088 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ay3LtxLR7UW
Name 2-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-2-oxoethyl 3,4-dimethoxybenzoate
Alternate Name(s) 3,4-Dimethoxy-benzoic acid 2-[4-methyl-3-(morpholine-4-sulfonyl)-phenyl]-2-oxo-ethyl ester 3,4-Dimethoxybenzoic acid[2-keto-2-(4-methyl-3-morpholinosulfonyl-phenyl)ethyl]ester 3,4-Dimethoxybenzoic acid[2-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-2-oxoethyl]ester [2-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2-oxidanylidene-ethyl]3,4-dimethoxybenzoate [2-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-oxoethyl]3,4-dimethoxybenzoate [2-(4-methyl-3-morpholinosulfonyl-phenyl)-2-oxo-ethyl]3,4-dimethoxybenzoate 3,4-Dimethoxybenzoic acid [2-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-2-oxoethyl] ester [2-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] 3,4-dimethoxybenzoate [2-(4-methyl-3-morpholinosulfonyl-phenyl)-2-oxo-ethyl] 3,4-dimethoxybenzoate [2-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2-oxidanylidene-ethyl] 3,4-dimethoxybenzoate
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Formula C22H25NO8S
InChI InChI=1S/C22H25NO8S/c1-15-4-5-16(13-21(15)32(26,27)23-8-10-30-11-9-23)18(24)14-31-22(25)17-6-7-19(28-2)20(12-17)29-3/h4-7,12-13H,8-11,14H2,1-3H3
InChIKey VGADILUQHBTDHB-UHFFFAOYSA-N
Molecular Weight 463.501 g/mol
SMILES COc1ccc(C(OCC(c2cc(S(N3CCOCC3)(=O)=O)c(cc2)C)=O)=O)cc1OC
SPLASH splash10-014i-7910000000-d28ec1d295fa2dbdc59b
Wiley ID 1461423