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Succinic acid, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl ethyl ester

View entire compound with spectra: 1 NMR, and 2 MS (GC)

Succinic acid, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl ethyl ester
SpectraBase Compound ID HINxyauBotj
InChI InChI=1S/C13H12F12O4/c1-2-28-6(26)3-4-7(27)29-5-9(16,17)11(20,21)13(24,25)12(22,23)10(18,19)8(14)15/h8H,2-5H2,1H3
InChIKey HPQWMQHQOLGLON-UHFFFAOYSA-N
Mol Weight 460.22 g/mol
Molecular Formula C13H12F12O4
Exact Mass 460.054397 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5nIqRSN7vxd
Name Succinic acid, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.054396818 u
Formula C13H12F12O4
InChI InChI=1S/C13H12F12O4/c1-2-28-6(26)3-4-7(27)29-5-9(16,17)11(20,21)13(24,25)12(22,23)10(18,19)8(14)15/h8H,2-5H2,1H3
InChIKey HPQWMQHQOLGLON-UHFFFAOYSA-N
Molecular Weight 460.216 g/mol
SMILES C(C(C(COC(CCC(OCC)=O)=O)(F)F)(F)F)(C(C(C(F)F)(F)F)(F)F)(F)F