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Phthalic acid, 4-trifluoromethylbenzyl hexadecyl ester

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Phthalic acid, 4-trifluoromethylbenzyl hexadecyl ester
SpectraBase Compound ID 1QVj2gpwfIr
InChI InChI=1S/C32H43F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24-38-30(36)28-18-15-16-19-29(28)31(37)39-25-26-20-22-27(23-21-26)32(33,34)35/h15-16,18-23H,2-14,17,24-25H2,1H3
InChIKey WNBJNUYAHYJUNL-UHFFFAOYSA-N
Mol Weight 548.7 g/mol
Molecular Formula C32H43F3O4
Exact Mass 548.311344 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9P4mGBjsdFV
Name Phthalic acid, 4-trifluoromethylbenzyl hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 548.311344350 u
Formula C32H43F3O4
InChI InChI=1S/C32H43F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24-38-30(36)28-18-15-16-19-29(28)31(37)39-25-26-20-22-27(23-21-26)32(33,34)35/h15-16,18-23H,2-14,17,24-25H2,1H3
InChIKey WNBJNUYAHYJUNL-UHFFFAOYSA-N
Molecular Weight 548.687 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCCCCCCCC)=O)C(OCC1=CC=C(C=C1)C(F)(F)F)=O