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3,3,5-Trimethylcyclohexyl 2-(pentafluoropropionyloxy)benzoate

View entire compound with spectra: 1 NMR

3,3,5-Trimethylcyclohexyl 2-(pentafluoropropionyloxy)benzoate
SpectraBase Compound ID KFL0GpNbjZW
InChI InChI=1S/C19H21F5O4/c1-11-8-12(10-17(2,3)9-11)27-15(25)13-6-4-5-7-14(13)28-16(26)18(20,21)19(22,23)24/h4-7,11-12H,8-10H2,1-3H3
InChIKey ODDCCKALFXEQNJ-UHFFFAOYSA-N
Mol Weight 408.37 g/mol
Molecular Formula C19H21F5O4
Exact Mass 408.136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FgqPPA7zHJf
Name 3,3,5-Trimethylcyclohexyl 2-(pentafluoropropionyloxy)benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.135999967 u
Formula C19H21F5O4
InChI InChI=1S/C19H21F5O4/c1-11-8-12(10-17(2,3)9-11)27-15(25)13-6-4-5-7-14(13)28-16(26)18(20,21)19(22,23)24/h4-7,11-12H,8-10H2,1-3H3
InChIKey ODDCCKALFXEQNJ-UHFFFAOYSA-N
Molecular Weight 408.365 g/mol
SMILES C1=C(C(C(=O)OC2CC(CC(C2)(C)C)C)=CC=C1)OC(C(F)(C(F)(F)F)F)=O