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Phthalic acid, 3,4-difluorobenzyl dodecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3,4-difluorobenzyl dodecyl ester
SpectraBase Compound ID AGonjymuih8
InChI InChI=1S/C27H34F2O4/c1-2-3-4-5-6-7-8-9-10-13-18-32-26(30)22-14-11-12-15-23(22)27(31)33-20-21-16-17-24(28)25(29)19-21/h11-12,14-17,19H,2-10,13,18,20H2,1H3
InChIKey WWIYWPQDWCPNCY-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 9SOOsSBqexB
Name Phthalic acid, 3,4-difluorobenzyl dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
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)22-14-11-12-15-23(22)27(31)33-20-21-16-17-24(28)25(29)19-21/h11-12,14-17,19H,2-10,13,18,20H2,1H3
InChIKey WWIYWPQDWCPNCY-UHFFFAOYSA-N
Molecular Weight 460.562 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCCCC)=O)C(OCC1=CC=C(C(=C1)F)F)=O