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tert-Butyl 4-[4,5,7-Trimethoxy-1-(trifluoromethanesulfonyl)naphthalen-2-yl)butanoate
SpectraBase Compound ID 49ccpIlRxNk
InChI InChI=1S/C22H27F3O8S/c1-21(2,3)32-18(26)9-7-8-13-10-16(30-5)19-15(11-14(29-4)12-17(19)31-6)20(13)33-34(27,28)22(23,24)25/h10-12H,7-9H2,1-6H3
InChIKey VYHPCAGHDGUFGD-UHFFFAOYSA-N
Mol Weight 508.51 g/mol
Molecular Formula C22H27F3O8S
Exact Mass 508.137873 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6BgWO40lwDV
Name tert-Butyl 4-[4,5,7-Trimethoxy-1-(trifluoromethanesulfonyl)naphthalen-2-yl)butanoate
Alternate Name(s) tert-Butyl 4-[4,5,7-Trimethoxy-1-(trifluoromethanesulfonyl-oxy)naphthalen-2-yl)butanoate
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Formula C22H27F3O8S
InChI InChI=1S/C22H27F3O8S/c1-21(2,3)32-18(26)9-7-8-13-10-16(30-5)19-15(11-14(29-4)12-17(19)31-6)20(13)33-34(27,28)22(23,24)25/h10-12H,7-9H2,1-6H3
InChIKey VYHPCAGHDGUFGD-UHFFFAOYSA-N
Molecular Weight 508.505 g/mol
SMILES C(S(Oc1c2c(c(OC)cc(c2)OC)c(cc1CCCC(OC(C)(C)C)=O)OC)(=O)=O)(F)(F)F
SPLASH splash10-014i-3029000000-f7789aaa7a34c5c3b792
Source of Spectrum SO-0-82-15
Wiley ID 876166