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Phthalic acid, decyl 2,2,3,3,4,4,4-heptafluorobutyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, decyl 2,2,3,3,4,4,4-heptafluorobutyl ester
SpectraBase Compound ID LESapNrPS8n
InChI InChI=1S/C22H27F7O4/c1-2-3-4-5-6-7-8-11-14-32-18(30)16-12-9-10-13-17(16)19(31)33-15-20(23,24)21(25,26)22(27,28)29/h9-10,12-13H,2-8,11,14-15H2,1H3
InChIKey YVIITHYTNXIEQY-UHFFFAOYSA-N
Mol Weight 488.44 g/mol
Molecular Formula C22H27F7O4
Exact Mass 488.179756 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ktD50EETLT
Name Phthalic acid, decyl 2,2,3,3,4,4,4-heptafluorobutyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 488.179756486 u
Formula C22H27F7O4
InChI InChI=1S/C22H27F7O4/c1-2-3-4-5-6-7-8-11-14-32-18(30)16-12-9-10-13-17(16)19(31)33-15-20(23,24)21(25,26)22(27,28)29/h9-10,12-13H,2-8,11,14-15H2,1H3
InChIKey YVIITHYTNXIEQY-UHFFFAOYSA-N
Molecular Weight 488.443 g/mol
SMILES C1=CC(=C(C=C1)C(OCCCCCCCCCC)=O)C(OCC(C(C(F)(F)F)(F)F)(F)F)=O