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Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-heptyl ester

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Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-heptyl ester
SpectraBase Compound ID Cmc2N6rMaCt
InChI InChI=1S/C16H22F8O4/c1-3-5-6-10(4-2)28-12(26)8-7-11(25)27-9-14(19,20)16(23,24)15(21,22)13(17)18/h10,13H,3-9H2,1-2H3
InChIKey BGNATHYOQYTLGA-UHFFFAOYSA-N
Mol Weight 430.34 g/mol
Molecular Formula C16H22F8O4
Exact Mass 430.139034 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HID6acc3Pk9
Name Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 430.139034488 u
Formula C16H22F8O4
InChI InChI=1S/C16H22F8O4/c1-3-5-6-10(4-2)28-12(26)8-7-11(25)27-9-14(19,20)16(23,24)15(21,22)13(17)18/h10,13H,3-9H2,1-2H3
InChIKey BGNATHYOQYTLGA-UHFFFAOYSA-N
Molecular Weight 430.335 g/mol
SMILES C(CC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OC(CCCC)CC)=O