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Phthalic acid, 2,5-difluorobenzyl hexadecyl ester

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Phthalic acid, 2,5-difluorobenzyl hexadecyl ester
SpectraBase Compound ID Ks0GIbVq8ut
InChI InChI=1S/C31H42F2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-36-30(34)27-18-15-16-19-28(27)31(35)37-24-25-23-26(32)20-21-29(25)33/h15-16,18-21,23H,2-14,17,22,24H2,1H3
InChIKey NIMSNKQNNJDZNH-UHFFFAOYSA-N
Mol Weight 516.7 g/mol
Molecular Formula C31H42F2O4
Exact Mass 516.305116 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3nfzPypeUHK
Name Phthalic acid, 2,5-difluorobenzyl hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 516.305116154 u
Formula C31H42F2O4
InChI InChI=1S/C31H42F2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-36-30(34)27-18-15-16-19-28(27)31(35)37-24-25-23-26(32)20-21-29(25)33/h15-16,18-21,23H,2-14,17,22,24H2,1H3
InChIKey NIMSNKQNNJDZNH-UHFFFAOYSA-N
Molecular Weight 516.670 g/mol
SMILES C(C1=CC=CC=C1C(OCC=1C=C(C=CC1F)F)=O)(OCCCCCCCCCCCCCCCC)=O