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

View entire compound with spectra: 1 NMR

Succinic acid, tridec-2-yn-1-yl pentafluorobenzyl ester
SpectraBase Compound ID D5yJlWigRva
InChI InChI=1S/C24H29F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-32-18(30)13-14-19(31)33-16-17-20(25)22(27)24(29)23(28)21(17)26/h2-10,13-16H2,1H3
InChIKey YTRKQZGMLQSLQJ-UHFFFAOYSA-N
Mol Weight 476.48 g/mol
Molecular Formula C24H29F5O4
Exact Mass 476.1986 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1LQ2L49PGE5
Name Succinic acid, tridec-2-yn-1-yl pentafluorobenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 476.198600225 u
Formula C24H29F5O4
InChI InChI=1S/C24H29F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-32-18(30)13-14-19(31)33-16-17-20(25)22(27)24(29)23(28)21(17)26/h2-10,13-16H2,1H3
InChIKey YTRKQZGMLQSLQJ-UHFFFAOYSA-N
Molecular Weight 476.484 g/mol
SMILES C(CC(OCC#CCCCCCCCCCC)=O)C(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O