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Diethylmalonic acid, 2-methylhex-3-yl 2,2,3,3,3-pentafluoropropyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-methylhex-3-yl 2,2,3,3,3-pentafluoropropyl ester
SpectraBase Compound ID EbexDZLfykn
InChI InChI=1S/C17H27F5O4/c1-6-9-12(11(4)5)26-14(24)15(7-2,8-3)13(23)25-10-16(18,19)17(20,21)22/h11-12H,6-10H2,1-5H3
InChIKey XBLUODVGWMIYKE-UHFFFAOYSA-N
Mol Weight 390.39 g/mol
Molecular Formula C17H27F5O4
Exact Mass 390.18295 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1kZ6I8wHkfH
Name Diethylmalonic acid, 2-methylhex-3-yl 2,2,3,3,3-pentafluoropropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 390.182950160 u
Formula C17H27F5O4
InChI InChI=1S/C17H27F5O4/c1-6-9-12(11(4)5)26-14(24)15(7-2,8-3)13(23)25-10-16(18,19)17(20,21)22/h11-12H,6-10H2,1-5H3
InChIKey XBLUODVGWMIYKE-UHFFFAOYSA-N
Molecular Weight 390.391 g/mol
SMILES C(C(C(OC(CCC)C(C)C)=O)(CC)CC)(OCC(F)(F)C(F)(F)F)=O