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5-(4-Methoxyphenyl)-5-(3,7,11-trimethylduodeca-2,6,10-trienyl)-3-trifluoromethyl-5H-furan-2-one

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5-(4-Methoxyphenyl)-5-(3,7,11-trimethylduodeca-2,6,10-trienyl)-3-trifluoromethyl-5H-furan-2-one
SpectraBase Compound ID 9sZs7zIa7E9
InChI InChI=1S/C27H33F3O3/c1-19(2)8-6-9-20(3)10-7-11-21(4)16-17-26(22-12-14-23(32-5)15-13-22)18-24(25(31)33-26)27(28,29)30/h8,10,12-16,18H,6-7,9,11,17H2,1-5H3/b20-10+,21-16+
InChIKey OBFPEIMGYJNPLS-UYFDDYNLSA-N
Mol Weight 462.6 g/mol
Molecular Formula C27H33F3O3
Exact Mass 462.238179 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6wPoOVsc21Y
Name 5-(4-Methoxyphenyl)-5-(3,7,11-trimethylduodeca-2,6,10-trienyl)-3-trifluoromethyl-5H-furan-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 462.238179409 u
Formula C27H33F3O3
InChI InChI=1S/C27H33F3O3/c1-19(2)8-6-9-20(3)10-7-11-21(4)16-17-26(22-12-14-23(32-5)15-13-22)18-24(25(31)33-26)27(28,29)30/h8,10,12-16,18H,6-7,9,11,17H2,1-5H3/b20-10+,21-16+
InChIKey OBFPEIMGYJNPLS-UYFDDYNLSA-N
Molecular Weight 462.553 g/mol
SMILES C1(=O)C(=CC(O1)(C1=CC=C(C=C1)OC)C\C=C\(CC\C=C\(CCC=C(C)C)C)C)C(F)(F)F