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

View entire compound with spectra: 1 NMR

Glutaric acid, tridec-2-yn-1-yl 2,2,3,3,3-pentafluoropropyl ester
SpectraBase Compound ID 8raxPY8Wwxf
InChI InChI=1S/C21H31F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-16-29-18(27)14-13-15-19(28)30-17-20(22,23)21(24,25)26/h2-10,13-17H2,1H3
InChIKey DZVRZHSMSUQVAY-UHFFFAOYSA-N
Mol Weight 442.47 g/mol
Molecular Formula C21H31F5O4
Exact Mass 442.21425 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 43iGztw0RGh
Name Glutaric acid, tridec-2-yn-1-yl 2,2,3,3,3-pentafluoropropyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 442.214250289 u
Formula C21H31F5O4
InChI InChI=1S/C21H31F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-16-29-18(27)14-13-15-19(28)30-17-20(22,23)21(24,25)26/h2-10,13-17H2,1H3
InChIKey DZVRZHSMSUQVAY-UHFFFAOYSA-N
Molecular Weight 442.467 g/mol
SMILES C(CCC(OCC#CCCCCCCCCCC)=O)C(OCC(C(F)(F)F)(F)F)=O