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Phthalic acid, 4-trifluoromethylbenzyl decyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 4-trifluoromethylbenzyl decyl ester
SpectraBase Compound ID 4ViDM4SLAz9
InChI InChI=1S/C26H31F3O4/c1-2-3-4-5-6-7-8-11-18-32-24(30)22-12-9-10-13-23(22)25(31)33-19-20-14-16-21(17-15-20)26(27,28)29/h9-10,12-17H,2-8,11,18-19H2,1H3
InChIKey UXJYKWGZLZMCHV-UHFFFAOYSA-N
Mol Weight 464.53 g/mol
Molecular Formula C26H31F3O4
Exact Mass 464.217444 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 49ljX3y90H3
Name Phthalic acid, 4-trifluoromethylbenzyl decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 464.217443963 u
Formula C26H31F3O4
InChI InChI=1S/C26H31F3O4/c1-2-3-4-5-6-7-8-11-18-32-24(30)22-12-9-10-13-23(22)25(31)33-19-20-14-16-21(17-15-20)26(27,28)29/h9-10,12-17H,2-8,11,18-19H2,1H3
InChIKey UXJYKWGZLZMCHV-UHFFFAOYSA-N
Molecular Weight 464.525 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCC)=O)C(OCC1=CC=C(C=C1)C(F)(F)F)=O