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Phthalic acid, 3,5-difluorophenyl pentyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3,5-difluorophenyl pentyl ester
SpectraBase Compound ID ILST59fe4QL
InChI InChI=1S/C19H18F2O4/c1-2-3-6-9-24-18(22)16-7-4-5-8-17(16)19(23)25-15-11-13(20)10-14(21)12-15/h4-5,7-8,10-12H,2-3,6,9H2,1H3
InChIKey PZGUZXAIJXURQQ-UHFFFAOYSA-N
Mol Weight 348.35 g/mol
Molecular Formula C19H18F2O4
Exact Mass 348.117315 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GtpFzi2MrW5
Name Phthalic acid, 3,5-difluorophenyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 348.117315382 u
Formula C19H18F2O4
InChI InChI=1S/C19H18F2O4/c1-2-3-6-9-24-18(22)16-7-4-5-8-17(16)19(23)25-15-11-13(20)10-14(21)12-15/h4-5,7-8,10-12H,2-3,6,9H2,1H3
InChIKey PZGUZXAIJXURQQ-UHFFFAOYSA-N
Molecular Weight 348.346 g/mol
SMILES C1=C(C=C(C=C1F)F)OC(C1=C(C=CC=C1)C(=O)OCCCCC)=O