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Phthalic acid, 2,5-difluorobenzyl undecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,5-difluorobenzyl undecyl ester
SpectraBase Compound ID 7V23qRtQVmi
InChI InChI=1S/C26H32F2O4/c1-2-3-4-5-6-7-8-9-12-17-31-25(29)22-13-10-11-14-23(22)26(30)32-19-20-18-21(27)15-16-24(20)28/h10-11,13-16,18H,2-9,12,17,19H2,1H3
InChIKey LWGCJNKMNKMTKS-UHFFFAOYSA-N
Mol Weight 446.5 g/mol
Molecular Formula C26H32F2O4
Exact Mass 446.226866 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LGDbTfkS6tq
Name Phthalic acid, 2,5-difluorobenzyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.226865832 u
Formula C26H32F2O4
InChI InChI=1S/C26H32F2O4/c1-2-3-4-5-6-7-8-9-12-17-31-25(29)22-13-10-11-14-23(22)26(30)32-19-20-18-21(27)15-16-24(20)28/h10-11,13-16,18H,2-9,12,17,19H2,1H3
InChIKey LWGCJNKMNKMTKS-UHFFFAOYSA-N
Molecular Weight 446.535 g/mol
SMILES C(C1=CC=CC=C1C(OCC=1C=C(C=CC1F)F)=O)(OCCCCCCCCCCC)=O