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Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 4-(4-methoxyphenyl)cyclohexyl ester

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Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 4-(4-methoxyphenyl)cyclohexyl ester
SpectraBase Compound ID 3rn8FRkqoev
InChI InChI=1S/C22H24F8O5/c1-33-15-6-2-13(3-7-15)14-4-8-16(9-5-14)35-18(32)11-10-17(31)34-12-20(25,26)22(29,30)21(27,28)19(23)24/h2-3,6-7,14,16,19H,4-5,8-12H2,1H3
InChIKey NTXOGCPXERMBCU-UHFFFAOYSA-N
Mol Weight 520.42 g/mol
Molecular Formula C22H24F8O5
Exact Mass 520.149599 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4809yn0TYfd
Name Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 4-(4-methoxyphenyl)cyclohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 520.149599172 u
Formula C22H24F8O5
InChI InChI=1S/C22H24F8O5/c1-33-15-6-2-13(3-7-15)14-4-8-16(9-5-14)35-18(32)11-10-17(31)34-12-20(25,26)22(29,30)21(27,28)19(23)24/h2-3,6-7,14,16,19H,4-5,8-12H2,1H3
InChIKey NTXOGCPXERMBCU-UHFFFAOYSA-N
Molecular Weight 520.416 g/mol
SMILES C(CC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OC1CCC(C2=CC=C(C=C2)OC)CC1)=O