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Phthalic acid, 4-trifluoromethylbenzyl undecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 4-trifluoromethylbenzyl undecyl ester
SpectraBase Compound ID GO7NC5n2hKK
InChI InChI=1S/C27H33F3O4/c1-2-3-4-5-6-7-8-9-12-19-33-25(31)23-13-10-11-14-24(23)26(32)34-20-21-15-17-22(18-16-21)27(28,29)30/h10-11,13-18H,2-9,12,19-20H2,1H3
InChIKey HESJIIAXPZSBSC-UHFFFAOYSA-N
Mol Weight 478.6 g/mol
Molecular Formula C27H33F3O4
Exact Mass 478.233094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID WupWgvWouW
Name Phthalic acid, 4-trifluoromethylbenzyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 478.233094028 u
Formula C27H33F3O4
InChI InChI=1S/C27H33F3O4/c1-2-3-4-5-6-7-8-9-12-19-33-25(31)23-13-10-11-14-24(23)26(32)34-20-21-15-17-22(18-16-21)27(28,29)30/h10-11,13-18H,2-9,12,19-20H2,1H3
InChIKey HESJIIAXPZSBSC-UHFFFAOYSA-N
Molecular Weight 478.552 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCCC)=O)C(OCC1=CC=C(C=C1)C(F)(F)F)=O