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Sebacic acid, heptyl pentafluorophenyl ester

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Sebacic acid, heptyl pentafluorophenyl ester
SpectraBase Compound ID 4mJOANWpO3h
InChI InChI=1S/C23H31F5O4/c1-2-3-4-9-12-15-31-16(29)13-10-7-5-6-8-11-14-17(30)32-23-21(27)19(25)18(24)20(26)22(23)28/h2-15H2,1H3
InChIKey CWTWOMOXEZBBHO-UHFFFAOYSA-N
Mol Weight 466.49 g/mol
Molecular Formula C23H31F5O4
Exact Mass 466.21425 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ASCXzmpCKLj
Name Sebacic acid, heptyl pentafluorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 466.214250289 u
Formula C23H31F5O4
InChI InChI=1S/C23H31F5O4/c1-2-3-4-9-12-15-31-16(29)13-10-7-5-6-8-11-14-17(30)32-23-21(27)19(25)18(24)20(26)22(23)28/h2-15H2,1H3
InChIKey CWTWOMOXEZBBHO-UHFFFAOYSA-N
Molecular Weight 466.489 g/mol
SMILES C(C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O)CCCCCCCC(OCCCCCCC)=O