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Succinic acid, tridec-2-yn-1-yl 2,2,3,3,3-pentafluoropropyl ester

View entire compound with spectra: 1 NMR

Succinic acid, tridec-2-yn-1-yl 2,2,3,3,3-pentafluoropropyl ester
SpectraBase Compound ID 1zHvhmhOYPB
InChI InChI=1S/C20H29F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-28-17(26)13-14-18(27)29-16-19(21,22)20(23,24)25/h2-10,13-16H2,1H3
InChIKey NUZZBVMQLARBJQ-UHFFFAOYSA-N
Mol Weight 428.44 g/mol
Molecular Formula C20H29F5O4
Exact Mass 428.1986 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Biul8E5lWfX
Name Succinic acid, tridec-2-yn-1-yl 2,2,3,3,3-pentafluoropropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 428.198600225 u
Formula C20H29F5O4
InChI InChI=1S/C20H29F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-28-17(26)13-14-18(27)29-16-19(21,22)20(23,24)25/h2-10,13-16H2,1H3
InChIKey NUZZBVMQLARBJQ-UHFFFAOYSA-N
Molecular Weight 428.440 g/mol
SMILES C(CC(OCC#CCCCCCCCCCC)=O)C(OCC(C(F)(F)F)(F)F)=O