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Phthalic acid, 2-(pentafluorophenoxy)ethyl tridecyl ester

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Phthalic acid, 2-(pentafluorophenoxy)ethyl tridecyl ester
SpectraBase Compound ID 4uz4vQDwhR3
InChI InChI=1S/C29H35F5O5/c1-2-3-4-5-6-7-8-9-10-11-14-17-38-28(35)20-15-12-13-16-21(20)29(36)39-19-18-37-27-25(33)23(31)22(30)24(32)26(27)34/h12-13,15-16H,2-11,14,17-19H2,1H3
InChIKey MHEYNOYWVWTYKV-UHFFFAOYSA-N
Mol Weight 558.6 g/mol
Molecular Formula C29H35F5O5
Exact Mass 558.240465 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7REHMcEbXwi
Name Phthalic acid, 2-(pentafluorophenoxy)ethyl tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 558.240465037 u
Formula C29H35F5O5
InChI InChI=1S/C29H35F5O5/c1-2-3-4-5-6-7-8-9-10-11-14-17-38-28(35)20-15-12-13-16-21(20)29(36)39-19-18-37-27-25(33)23(31)22(30)24(32)26(27)34/h12-13,15-16H,2-11,14,17-19H2,1H3
InChIKey MHEYNOYWVWTYKV-UHFFFAOYSA-N
Molecular Weight 558.586 g/mol
SMILES C(C1=CC=CC=C1C(OCCOC1=C(C(=C(C(=C1F)F)F)F)F)=O)(OCCCCCCCCCCCCC)=O