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Phthalic acid, 1-(pentafluorophenyl)ethyl tridecyl ester

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Phthalic acid, 1-(pentafluorophenyl)ethyl tridecyl ester
SpectraBase Compound ID LL44NZYxWAH
InChI InChI=1S/C29H35F5O4/c1-3-4-5-6-7-8-9-10-11-12-15-18-37-28(35)20-16-13-14-17-21(20)29(36)38-19(2)22-23(30)25(32)27(34)26(33)24(22)31/h13-14,16-17,19H,3-12,15,18H2,1-2H3
InChIKey ZUTDKJCPONMJTI-UHFFFAOYSA-N
Mol Weight 542.6 g/mol
Molecular Formula C29H35F5O4
Exact Mass 542.24555 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2thsSbLrV7i
Name Phthalic acid, 1-(pentafluorophenyl)ethyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 542.245550418 u
Formula C29H35F5O4
InChI InChI=1S/C29H35F5O4/c1-3-4-5-6-7-8-9-10-11-12-15-18-37-28(35)20-16-13-14-17-21(20)29(36)38-19(2)22-23(30)25(32)27(34)26(33)24(22)31/h13-14,16-17,19H,3-12,15,18H2,1-2H3
InChIKey ZUTDKJCPONMJTI-UHFFFAOYSA-N
Molecular Weight 542.587 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OC(C)C1=C(C(=C(C(=C1F)F)F)F)F)C(=O)OCCCCCCCCCCCCC