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

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Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl tridecyl ester
SpectraBase Compound ID 3pn1QWd0rkQ
InChI InChI=1S/C25H33F7O4/c1-2-3-4-5-6-7-8-9-10-11-14-17-35-21(33)19-15-12-13-16-20(19)22(34)36-18-23(26,27)24(28,29)25(30,31)32/h12-13,15-16H,2-11,14,17-18H2,1H3
InChIKey GWQTTZHHABXYIZ-UHFFFAOYSA-N
Mol Weight 530.5 g/mol
Molecular Formula C25H33F7O4
Exact Mass 530.226707 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BODFUUVNdoU
Name Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 530.226706680 u
Formula C25H33F7O4
InChI InChI=1S/C25H33F7O4/c1-2-3-4-5-6-7-8-9-10-11-14-17-35-21(33)19-15-12-13-16-20(19)22(34)36-18-23(26,27)24(28,29)25(30,31)32/h12-13,15-16H,2-11,14,17-18H2,1H3
InChIKey GWQTTZHHABXYIZ-UHFFFAOYSA-N
Molecular Weight 530.524 g/mol
SMILES C1=CC(=C(C=C1)C(OCCCCCCCCCCCCC)=O)C(OCC(C(C(F)(F)F)(F)F)(F)F)=O