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Phthalic acid, dodecyl 2-trifluoromethylbenzyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, dodecyl 2-trifluoromethylbenzyl ester
SpectraBase Compound ID 6Myy1g0pLYs
InChI InChI=1S/C28H35F3O4/c1-2-3-4-5-6-7-8-9-10-15-20-34-26(32)23-17-12-13-18-24(23)27(33)35-21-22-16-11-14-19-25(22)28(29,30)31/h11-14,16-19H,2-10,15,20-21H2,1H3
InChIKey NMNXREAAKZBSGU-UHFFFAOYSA-N
Mol Weight 492.6 g/mol
Molecular Formula C28H35F3O4
Exact Mass 492.248744 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Pw7GZlvtaK
Name Phthalic acid, dodecyl 2-trifluoromethylbenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 492.248744092 u
Formula C28H35F3O4
InChI InChI=1S/C28H35F3O4/c1-2-3-4-5-6-7-8-9-10-15-20-34-26(32)23-17-12-13-18-24(23)27(33)35-21-22-16-11-14-19-25(22)28(29,30)31/h11-14,16-19H,2-10,15,20-21H2,1H3
InChIKey NMNXREAAKZBSGU-UHFFFAOYSA-N
Molecular Weight 492.579 g/mol
SMILES C(C1=CC=CC=C1C(OCC=1C=CC=CC1C(F)(F)F)=O)(OCCCCCCCCCCCC)=O