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Phthalic acid, heptadecyl 2-(pentafluorophenoxy)ethyl ester

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Phthalic acid, heptadecyl 2-(pentafluorophenoxy)ethyl ester
SpectraBase Compound ID 2pBY8U9Jn2P
InChI InChI=1S/C33H43F5O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-42-32(39)24-19-16-17-20-25(24)33(40)43-23-22-41-31-29(37)27(35)26(34)28(36)30(31)38/h16-17,19-20H,2-15,18,21-23H2,1H3
InChIKey XPQPDUXKXZWYPG-UHFFFAOYSA-N
Mol Weight 614.7 g/mol
Molecular Formula C33H43F5O5
Exact Mass 614.303065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4kHipjsldMv
Name Phthalic acid, heptadecyl 2-(pentafluorophenoxy)ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 614.303065295 u
Formula C33H43F5O5
InChI InChI=1S/C33H43F5O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-42-32(39)24-19-16-17-20-25(24)33(40)43-23-22-41-31-29(37)27(35)26(34)28(36)30(31)38/h16-17,19-20H,2-15,18,21-23H2,1H3
InChIKey XPQPDUXKXZWYPG-UHFFFAOYSA-N
Molecular Weight 614.694 g/mol
SMILES C(C1=CC=CC=C1C(OCCOC1=C(C(=C(C(=C1F)F)F)F)F)=O)(OCCCCCCCCCCCCCCCCC)=O