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2,2-Dimethyl-4-[4'-(2,2-dimethyl-1,3-dioxolan-4-ylmethoxy)-3-(1H,1H,2H,2H,3H,3H,4H,4H,5H,5H,6H,6H-perfluorooctadecyloxy)-4-yloxymethyl]-1,3-dioxolane
SpectraBase Compound ID DhKUHreecSw
InChI InChI=1S/C42H41F25O7/c1-29(2)71-20-25(73-29)18-69-24-12-9-22(10-13-24)23-11-14-27(70-19-26-21-72-30(3,4)74-26)28(17-23)68-16-8-6-5-7-15-31(43,44)32(45,46)33(47,48)34(49,50)35(51,52)36(53,54)37(55,56)38(57,58)39(59,60)40(61,62)41(63,64)42(65,66)67/h9-14,17,25-26H,5-8,15-16,18-21H2,1-4H3
InChIKey IPZWGYUCBXBRCK-UHFFFAOYSA-N
Mol Weight 1132.7 g/mol
Molecular Formula C42H41F25O7
Exact Mass 1132.245308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HqU5F1otX0r
Name 2,2-Dimethyl-4-[4'-(2,2-dimethyl-1,3-dioxolan-4-ylmethoxy)-3-(1H,1H,2H,2H,3H,3H,4H,4H,5H,5H,6H,6H-perfluorooctadecyloxy)-4-yloxymethyl]-1,3-dioxolane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 1132.245307728 u
Formula C42H41F25O7
InChI InChI=1S/C42H41F25O7/c1-29(2)71-20-25(73-29)18-69-24-12-9-22(10-13-24)23-11-14-27(70-19-26-21-72-30(3,4)74-26)28(17-23)68-16-8-6-5-7-15-31(43,44)32(45,46)33(47,48)34(49,50)35(51,52)36(53,54)37(55,56)38(57,58)39(59,60)40(61,62)41(63,64)42(65,66)67/h9-14,17,25-26H,5-8,15-16,18-21H2,1-4H3
InChIKey IPZWGYUCBXBRCK-UHFFFAOYSA-N
Molecular Weight 1132.743 g/mol
SMILES C1(OCC2COC(O2)(C)C)=CC=C(C2=CC(=C(C=C2)OCC2COC(O2)(C)C)OCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C1