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Glutaric acid, heptadecyl 1-phenyl-2,2,2-trifluoroethyl ester

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Glutaric acid, heptadecyl 1-phenyl-2,2,2-trifluoroethyl ester
SpectraBase Compound ID CXRzCipekex
InChI InChI=1S/C30H47F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25-36-27(34)23-20-24-28(35)37-29(30(31,32)33)26-21-17-16-18-22-26/h16-18,21-22,29H,2-15,19-20,23-25H2,1H3
InChIKey RRKVERBHHBSYRH-UHFFFAOYSA-N
Mol Weight 528.7 g/mol
Molecular Formula C30H47F3O4
Exact Mass 528.342644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bp3QoQacxEN
Name Glutaric acid, heptadecyl 1-phenyl-2,2,2-trifluoroethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 528.342644478 u
Formula C30H47F3O4
InChI InChI=1S/C30H47F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25-36-27(34)23-20-24-28(35)37-29(30(31,32)33)26-21-17-16-18-22-26/h16-18,21-22,29H,2-15,19-20,23-25H2,1H3
InChIKey RRKVERBHHBSYRH-UHFFFAOYSA-N
Molecular Weight 528.697 g/mol
SMILES C(OC(C(F)(F)F)C1=CC=CC=C1)(=O)CCCC(OCCCCCCCCCCCCCCCCC)=O