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Hexestrol, o,o'-di(pentafluoropropionyl)-

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Hexestrol, o,o'-di(pentafluoropropionyl)-
SpectraBase Compound ID 40a6uiZiT1A
InChI InChI=1S/C24H20F10O4/c1-3-17(13-5-9-15(10-6-13)37-19(35)21(25,26)23(29,30)31)18(4-2)14-7-11-16(12-8-14)38-20(36)22(27,28)24(32,33)34/h5-12,17-18H,3-4H2,1-2H3
InChIKey TVOMFZKTUAEKBA-UHFFFAOYSA-N
Mol Weight 562.4 g/mol
Molecular Formula C24H20F10O4
Exact Mass 562.120191 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EfaQUsmFgfp
Name Hexestrol, o,o'-di(pentafluoropropionyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 562.120190750 u
Formula C24H20F10O4
InChI InChI=1S/C24H20F10O4/c1-3-17(13-5-9-15(10-6-13)37-19(35)21(25,26)23(29,30)31)18(4-2)14-7-11-16(12-8-14)38-20(36)22(27,28)24(32,33)34/h5-12,17-18H,3-4H2,1-2H3
InChIKey TVOMFZKTUAEKBA-UHFFFAOYSA-N
Molecular Weight 562.404 g/mol
SMILES C1=CC(=CC=C1OC(C(C(F)(F)F)(F)F)=O)C(CC)C(C1=CC=C(C=C1)OC(C(C(F)(F)F)(F)F)=O)CC