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Methyl 2,4-Dimethoxy-6-[1-(p-tolylsulfonyl)-7-methoxycarbonylheptyl] benzoate
SpectraBase Compound ID AqBybLaMnZH
InChI InChI=1S/C26H34O8S/c1-18-12-14-20(15-13-18)35(29,30)23(10-8-6-7-9-11-24(27)33-4)21-16-19(31-2)17-22(32-3)25(21)26(28)34-5/h12-17,23H,6-11H2,1-5H3
InChIKey NTRLOKIEWBHZHW-UHFFFAOYSA-N
Mol Weight 506.6 g/mol
Molecular Formula C26H34O8S
Exact Mass 506.197439 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IlPfIIYLBPd
Name Methyl 2,4-Dimethoxy-6-[1-(p-tolylsulfonyl)-7-methoxycarbonylheptyl] benzoate
Alternate Name(s) Methyl 2,4-dimethoxy-6-{8-methoxy-1-[(4-methylphenyl)sulfonyl]-8-oxooctyl}benzoate
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Formula C26H34O8S
InChI InChI=1S/C26H34O8S/c1-18-12-14-20(15-13-18)35(29,30)23(10-8-6-7-9-11-24(27)33-4)21-16-19(31-2)17-22(32-3)25(21)26(28)34-5/h12-17,23H,6-11H2,1-5H3
InChIKey NTRLOKIEWBHZHW-UHFFFAOYSA-N
Molecular Weight 506.610 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)(c1c(c(OC)cc(c1)OC)C(=O)OC)CCCCCCC(=O)OC
SPLASH splash10-0udl-1159000000-c9df5aa8dffa6acbbf07
Source of Spectrum QC-1-194-12
Wiley ID 882859