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4-(4-Methoxy-3-(4-(5-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenethyl)phenoxy)phenethyl)-2-(methoxymethoxy)phenyl trifluoromethanesulfonate

View entire compound with spectra: 1 MS (GC)

4-(4-Methoxy-3-(4-(5-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenethyl)phenoxy)phenethyl)-2-(methoxymethoxy)phenyl trifluoromethanesulfonate
SpectraBase Compound ID IAe3JcChxxt
InChI InChI=1S/C39H44BF3O10S/c1-37(2)38(3,4)53-40(52-37)32-19-18-31(47-6)24-29(32)15-10-26-11-16-30(17-12-26)50-36-23-28(13-20-33(36)48-7)9-8-27-14-21-34(35(22-27)49-25-46-5)51-54(44,45)39(41,42)43/h11-14,16-24H,8-10,15,25H2,1-7H3
InChIKey GQKKXZSLPKTFJL-UHFFFAOYSA-N
Mol Weight 772.6 g/mol
Molecular Formula C39H44BF3O10S
Exact Mass 772.270033 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GPpKObnyQoT
Name 4-(4-Methoxy-3-(4-(5-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenethyl)phenoxy)phenethyl)-2-(methoxymethoxy)phenyl trifluoromethanesulfonate
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Formula C39H44BF3O10S
InChI InChI=1S/C39H44BF3O10S/c1-37(2)38(3,4)53-40(52-37)32-19-18-31(47-6)24-29(32)15-10-26-11-16-30(17-12-26)50-36-23-28(13-20-33(36)48-7)9-8-27-14-21-34(35(22-27)49-25-46-5)51-54(44,45)39(41,42)43/h11-14,16-24H,8-10,15,25H2,1-7H3
InChIKey GQKKXZSLPKTFJL-UHFFFAOYSA-N
Molecular Weight 772.636 g/mol
SMILES C1(OB(OC1(C)C)c1c(cc(cc1)OC)CCc1ccc(Oc2c(ccc(c2)CCc2cc(OCOC)c(OS(C(F)(F)F)(=O)=O)cc2)OC)cc1)(C)C
SPLASH splash10-052b-9005032100-333982f0fa25f0405b4b
Source of Spectrum F-69-6966-26
Wiley ID 1738460