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Isophthalic acid, nonyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

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Isophthalic acid, nonyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID JWrb3XBoRre
InChI InChI=1S/C22H26F8O4/c1-2-3-4-5-6-7-8-12-33-17(31)15-10-9-11-16(13-15)18(32)34-14-20(25,26)22(29,30)21(27,28)19(23)24/h9-11,13,19H,2-8,12,14H2,1H3
InChIKey RNZHXANXFNXXPN-UHFFFAOYSA-N
Mol Weight 506.43 g/mol
Molecular Formula C22H26F8O4
Exact Mass 506.170335 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AEyUXK3mrCk
Name Isophthalic acid, nonyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 506.170334617 u
Formula C22H26F8O4
InChI InChI=1S/C22H26F8O4/c1-2-3-4-5-6-7-8-12-33-17(31)15-10-9-11-16(13-15)18(32)34-14-20(25,26)22(29,30)21(27,28)19(23)24/h9-11,13,19H,2-8,12,14H2,1H3
InChIKey RNZHXANXFNXXPN-UHFFFAOYSA-N
Molecular Weight 506.433 g/mol
SMILES C1(=CC=CC(=C1)C(=O)OCCCCCCCCC)C(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O