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Glutaric acid, 1-(4-fluorophenyl)ethyl 2-methylhex-3-yl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 1-(4-fluorophenyl)ethyl 2-methylhex-3-yl ester
SpectraBase Compound ID Jfm1m1WmmVF
InChI InChI=1S/C20H29FO4/c1-5-7-18(14(2)3)25-20(23)9-6-8-19(22)24-15(4)16-10-12-17(21)13-11-16/h10-15,18H,5-9H2,1-4H3
InChIKey BGSYRMLPTMUCBE-UHFFFAOYSA-N
Mol Weight 352.45 g/mol
Molecular Formula C20H29FO4
Exact Mass 352.204988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4f3A4GuH3Mn
Name Glutaric acid, 1-(4-fluorophenyl)ethyl 2-methylhex-3-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 352.204987573 u
Formula C20H29FO4
InChI InChI=1S/C20H29FO4/c1-5-7-18(14(2)3)25-20(23)9-6-8-19(22)24-15(4)16-10-12-17(21)13-11-16/h10-15,18H,5-9H2,1-4H3
InChIKey BGSYRMLPTMUCBE-UHFFFAOYSA-N
Molecular Weight 352.446 g/mol
SMILES C(OC(C1=CC=C(C=C1)F)C)(=O)CCCC(OC(CCC)C(C)C)=O