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Phthalic acid, 2,5-difluorobenzyl heptadecyl ester

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Phthalic acid, 2,5-difluorobenzyl heptadecyl ester
SpectraBase Compound ID BuQaigUvIah
InChI InChI=1S/C32H44F2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-37-31(35)28-19-16-17-20-29(28)32(36)38-25-26-24-27(33)21-22-30(26)34/h16-17,19-22,24H,2-15,18,23,25H2,1H3
InChIKey SEQONKMVPKKERO-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 BM5LNikTXZa
Name Phthalic acid, 2,5-difluorobenzyl heptadecyl ester
Comments Computed using HOSE algorithm
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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)28-19-16-17-20-29(28)32(36)38-25-26-24-27(33)21-22-30(26)34/h16-17,19-22,24H,2-15,18,23,25H2,1H3
InChIKey SEQONKMVPKKERO-UHFFFAOYSA-N
Molecular Weight 530.697 g/mol
SMILES C(C1=CC=CC=C1C(OCC=1C=C(C=CC1F)F)=O)(OCCCCCCCCCCCCCCCCC)=O