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1,2-Cyclohexanedicarboxylic acid, pentadecyl pentafluorobenzyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, pentadecyl pentafluorobenzyl ester
SpectraBase Compound ID 9dCErVVRc0B
InChI InChI=1S/C30H43F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-38-29(36)21-17-14-15-18-22(21)30(37)39-20-23-24(31)26(33)28(35)27(34)25(23)32/h21-22H,2-20H2,1H3
InChIKey CUZCJQVRFTZJRG-UHFFFAOYSA-N
Mol Weight 562.7 g/mol
Molecular Formula C30H43F5O4
Exact Mass 562.308151 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 33EAf0UOKAp
Name 1,2-Cyclohexanedicarboxylic acid, pentadecyl pentafluorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 562.308150676 u
Formula C30H43F5O4
InChI InChI=1S/C30H43F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-38-29(36)21-17-14-15-18-22(21)30(37)39-20-23-24(31)26(33)28(35)27(34)25(23)32/h21-22H,2-20H2,1H3
InChIKey CUZCJQVRFTZJRG-UHFFFAOYSA-N
Molecular Weight 562.662 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)F)F)COC(C1CCCCC1C(OCCCCCCCCCCCCCCC)=O)=O)F