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Phthalic acid, 3-fluorophenyl isobutyl ester
SpectraBase Compound ID 5KG8xanD9a4
InChI InChI=1S/C18H17FO4/c1-12(2)11-22-17(20)15-8-3-4-9-16(15)18(21)23-14-7-5-6-13(19)10-14/h3-10,12H,11H2,1-2H3
InChIKey VBBOWYZLHUVTKQ-UHFFFAOYSA-N
Mol Weight 316.33 g/mol
Molecular Formula C18H17FO4
Exact Mass 316.111087 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KWj05kIU6bE
Name Phthalic acid, 3-fluorophenyl isobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 316.111087186 u
Formula C18H17FO4
InChI InChI=1S/C18H17FO4/c1-12(2)11-22-17(20)15-8-3-4-9-16(15)18(21)23-14-7-5-6-13(19)10-14/h3-10,12H,11H2,1-2H3
InChIKey VBBOWYZLHUVTKQ-UHFFFAOYSA-N
Molecular Weight 316.328 g/mol
SMILES C1(=CC=CC=C1C(OCC(C)C)=O)C(OC1=CC(=CC=C1)F)=O