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Glutaric acid, myrtenyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

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Glutaric acid, myrtenyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID 7aCcfS1Ebmw
InChI InChI=1S/C20H24F8O4/c1-17(2)12-7-6-11(13(17)8-12)9-31-14(29)4-3-5-15(30)32-10-18(23,24)20(27,28)19(25,26)16(21)22/h6,12-13,16H,3-5,7-10H2,1-2H3
InChIKey YCFUTGQQEHECGB-UHFFFAOYSA-N
Mol Weight 480.4 g/mol
Molecular Formula C20H24F8O4
Exact Mass 480.154685 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A8h0LLztw9r
Name Glutaric acid, myrtenyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 480.154684553 u
Formula C20H24F8O4
InChI InChI=1S/C20H24F8O4/c1-17(2)12-7-6-11(13(17)8-12)9-31-14(29)4-3-5-15(30)32-10-18(23,24)20(27,28)19(25,26)16(21)22/h6,12-13,16H,3-5,7-10H2,1-2H3
InChIKey YCFUTGQQEHECGB-UHFFFAOYSA-N
Molecular Weight 480.395 g/mol
SMILES C(CCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OCC=1C2C(C(CC1)C2)(C)C)=O