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Glutaric acid, tridec-2-yn-1-yl pentafluorobenzyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, tridec-2-yn-1-yl pentafluorobenzyl ester
SpectraBase Compound ID Epfrk6pr4ou
InChI InChI=1S/C25H31F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-16-33-19(31)14-13-15-20(32)34-17-18-21(26)23(28)25(30)24(29)22(18)27/h2-10,13-17H2,1H3
InChIKey URFRPWKSSKZZLZ-UHFFFAOYSA-N
Mol Weight 490.51 g/mol
Molecular Formula C25H31F5O4
Exact Mass 490.21425 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ZfSiqzwO77
Name Glutaric acid, tridec-2-yn-1-yl pentafluorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 490.214250289 u
Formula C25H31F5O4
InChI InChI=1S/C25H31F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-16-33-19(31)14-13-15-20(32)34-17-18-21(26)23(28)25(30)24(29)22(18)27/h2-10,13-17H2,1H3
InChIKey URFRPWKSSKZZLZ-UHFFFAOYSA-N
Molecular Weight 490.511 g/mol
SMILES C(CCC(OCC#CCCCCCCCCCC)=O)C(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O