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Succinic acid, tridec-2-yn-1-yl pentafluorophenyl ester

View entire compound with spectra: 1 NMR

Succinic acid, tridec-2-yn-1-yl pentafluorophenyl ester
SpectraBase Compound ID GSTyZ0yR7dr
InChI InChI=1S/C23H27F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-31-16(29)13-14-17(30)32-23-21(27)19(25)18(24)20(26)22(23)28/h2-10,13-15H2,1H3
InChIKey RLINMEXPRSBOCQ-UHFFFAOYSA-N
Mol Weight 462.46 g/mol
Molecular Formula C23H27F5O4
Exact Mass 462.18295 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9BzACuvUPYG
Name Succinic acid, tridec-2-yn-1-yl pentafluorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 462.182950160 u
Formula C23H27F5O4
InChI InChI=1S/C23H27F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-31-16(29)13-14-17(30)32-23-21(27)19(25)18(24)20(26)22(23)28/h2-10,13-15H2,1H3
InChIKey RLINMEXPRSBOCQ-UHFFFAOYSA-N
Molecular Weight 462.457 g/mol
SMILES C(CC(OCC#CCCCCCCCCCC)=O)C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O