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Phthalic acid, 3,4-difluorobenzyl heptadecyl ester

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Phthalic acid, 3,4-difluorobenzyl heptadecyl ester
SpectraBase Compound ID 3zXdh03ioG4
InChI InChI=1S/C32H44F2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-37-31(35)27-19-16-17-20-28(27)32(36)38-25-26-21-22-29(33)30(34)24-26/h16-17,19-22,24H,2-15,18,23,25H2,1H3
InChIKey AXRPXPFDXMJXRW-UHFFFAOYSA-N
Mol Weight 530.7 g/mol
Molecular Formula C32H44F2O4
Exact Mass 530.320766 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9AGZnfslmq1
Name Phthalic acid, 3,4-difluorobenzyl heptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 530.320766219 u
Formula C32H44F2O4
InChI InChI=1S/C32H44F2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-37-31(35)27-19-16-17-20-28(27)32(36)38-25-26-21-22-29(33)30(34)24-26/h16-17,19-22,24H,2-15,18,23,25H2,1H3
InChIKey AXRPXPFDXMJXRW-UHFFFAOYSA-N
Molecular Weight 530.697 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCCCCCCCCC)=O)C(OCC1=CC=C(C(=C1)F)F)=O