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Phthalic acid, 2,5-difluorobenzyl dodecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,5-difluorobenzyl dodecyl ester
SpectraBase Compound ID 31SX0krXMrv
InChI InChI=1S/C27H34F2O4/c1-2-3-4-5-6-7-8-9-10-13-18-32-26(30)23-14-11-12-15-24(23)27(31)33-20-21-19-22(28)16-17-25(21)29/h11-12,14-17,19H,2-10,13,18,20H2,1H3
InChIKey ANJMJXIALAIWJA-UHFFFAOYSA-N
Mol Weight 460.6 g/mol
Molecular Formula C27H34F2O4
Exact Mass 460.242516 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Amv3SOhH06Y
Name Phthalic acid, 2,5-difluorobenzyl dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 460.242515897 u
Formula C27H34F2O4
InChI InChI=1S/C27H34F2O4/c1-2-3-4-5-6-7-8-9-10-13-18-32-26(30)23-14-11-12-15-24(23)27(31)33-20-21-19-22(28)16-17-25(21)29/h11-12,14-17,19H,2-10,13,18,20H2,1H3
InChIKey ANJMJXIALAIWJA-UHFFFAOYSA-N
Molecular Weight 460.562 g/mol
SMILES C(C1=CC=CC=C1C(OCC=1C=C(C=CC1F)F)=O)(OCCCCCCCCCCCC)=O