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Succinic acid, 3,5-difluorophenyl 3,4-dimethylphenyl ester

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Succinic acid, 3,5-difluorophenyl 3,4-dimethylphenyl ester
SpectraBase Compound ID 9ze8t25LIME
InChI InChI=1S/C18H16F2O4/c1-11-3-4-15(7-12(11)2)23-17(21)5-6-18(22)24-16-9-13(19)8-14(20)10-16/h3-4,7-10H,5-6H2,1-2H3
InChIKey ITDPUHQDIHWVHJ-UHFFFAOYSA-N
Mol Weight 334.32 g/mol
Molecular Formula C18H16F2O4
Exact Mass 334.101665 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID COddPWHkLTf
Name Succinic acid, 3,5-difluorophenyl 3,4-dimethylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 334.101665317 u
Formula C18H16F2O4
InChI InChI=1S/C18H16F2O4/c1-11-3-4-15(7-12(11)2)23-17(21)5-6-18(22)24-16-9-13(19)8-14(20)10-16/h3-4,7-10H,5-6H2,1-2H3
InChIKey ITDPUHQDIHWVHJ-UHFFFAOYSA-N
Molecular Weight 334.319 g/mol
SMILES CC1=CC=C(C=C1C)OC(CCC(OC1=CC(=CC(=C1)F)F)=O)=O