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Phthalic acid, 2,5-difluorobenzyl nonyl ester
SpectraBase Compound ID Hgrf0UIH2aM
InChI InChI=1S/C24H28F2O4/c1-2-3-4-5-6-7-10-15-29-23(27)20-11-8-9-12-21(20)24(28)30-17-18-16-19(25)13-14-22(18)26/h8-9,11-14,16H,2-7,10,15,17H2,1H3
InChIKey ZXUJGIBKTYQWPR-UHFFFAOYSA-N
Mol Weight 418.48 g/mol
Molecular Formula C24H28F2O4
Exact Mass 418.195566 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KeNFqnPRdIk
Name Phthalic acid, 2,5-difluorobenzyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.195565704 u
Formula C24H28F2O4
InChI InChI=1S/C24H28F2O4/c1-2-3-4-5-6-7-10-15-29-23(27)20-11-8-9-12-21(20)24(28)30-17-18-16-19(25)13-14-22(18)26/h8-9,11-14,16H,2-7,10,15,17H2,1H3
InChIKey ZXUJGIBKTYQWPR-UHFFFAOYSA-N
Molecular Weight 418.481 g/mol
SMILES C(C1=CC=CC=C1C(OCC=1C=C(C=CC1F)F)=O)(OCCCCCCCCC)=O