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Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl diphenylmethyl ester
SpectraBase Compound ID EZZZh40pd2L
InChI InChI=1S/C23H20F8O4/c24-20(25)22(28,29)23(30,31)21(26,27)14-34-17(32)12-7-13-18(33)35-19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,19-20H,7,12-14H2
InChIKey QJAYBVNXPKKQQK-UHFFFAOYSA-N
Mol Weight 512.4 g/mol
Molecular Formula C23H20F8O4
Exact Mass 512.123384 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BR9qxWa8Wqz
Name Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl diphenylmethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 512.123384424 u
Formula C23H20F8O4
InChI InChI=1S/C23H20F8O4/c24-20(25)22(28,29)23(30,31)21(26,27)14-34-17(32)12-7-13-18(33)35-19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,19-20H,7,12-14H2
InChIKey QJAYBVNXPKKQQK-UHFFFAOYSA-N
Molecular Weight 512.396 g/mol
SMILES C(CCC(OCC(F)(F)C(F)(F)C(C(F)F)(F)F)=O)C(OC(C=1C=CC=CC1)C1=CC=CC=C1)=O