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Phthalic acid, 3,4-difluorobenzyl hexyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3,4-difluorobenzyl hexyl ester
SpectraBase Compound ID DOLXhcYpl4f
InChI InChI=1S/C21H22F2O4/c1-2-3-4-7-12-26-20(24)16-8-5-6-9-17(16)21(25)27-14-15-10-11-18(22)19(23)13-15/h5-6,8-11,13H,2-4,7,12,14H2,1H3
InChIKey BDAJGJGVFIDEAO-UHFFFAOYSA-N
Mol Weight 376.4 g/mol
Molecular Formula C21H22F2O4
Exact Mass 376.148616 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CzGuBB4zzlg
Name Phthalic acid, 3,4-difluorobenzyl hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 376.148615510 u
Formula C21H22F2O4
InChI InChI=1S/C21H22F2O4/c1-2-3-4-7-12-26-20(24)16-8-5-6-9-17(16)21(25)27-14-15-10-11-18(22)19(23)13-15/h5-6,8-11,13H,2-4,7,12,14H2,1H3
InChIKey BDAJGJGVFIDEAO-UHFFFAOYSA-N
Molecular Weight 376.400 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCC)=O)C(OCC1=CC=C(C(=C1)F)F)=O