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1,2-Benzenediol, o-(3-cyclopentylpropionyl)-o'-pentadecafluorooctanoyl-

View entire compound with spectra: 1 NMR

1,2-Benzenediol, o-(3-cyclopentylpropionyl)-o'-pentadecafluorooctanoyl-
SpectraBase Compound ID 3725higgi0n
InChI InChI=1S/C22H17F15O4/c23-16(24,17(25,26)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)37)15(39)41-13-8-4-3-7-12(13)40-14(38)10-9-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2
InChIKey NUTFENMSKBWKKU-UHFFFAOYSA-N
Mol Weight 630.35 g/mol
Molecular Formula C22H17F15O4
Exact Mass 630.088731 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Df8eXDbCehM
Name 1,2-Benzenediol, o-(3-cyclopentylpropionyl)-o'-pentadecafluorooctanoyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 630.088731468 u
Formula C22H17F15O4
InChI InChI=1S/C22H17F15O4/c23-16(24,17(25,26)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)37)15(39)41-13-8-4-3-7-12(13)40-14(38)10-9-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2
InChIKey NUTFENMSKBWKKU-UHFFFAOYSA-N
Molecular Weight 630.350 g/mol
SMILES C(C(C(C(C(OC1=C(C=CC=C1)OC(CCC1CCCC1)=O)=O)(F)F)(F)F)(F)F)(C(F)(F)C(C(F)(F)F)(F)F)(F)F