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Phthalic acid, heptyl 2-trifluoromethylbenzyl este

View entire compound with spectra: 1 NMR

Phthalic acid, heptyl 2-trifluoromethylbenzyl este
SpectraBase Compound ID 6CPZpXrKwJX
InChI InChI=1S/C23H25F3O4/c1-2-3-4-5-10-15-29-21(27)18-12-7-8-13-19(18)22(28)30-16-17-11-6-9-14-20(17)23(24,25)26/h6-9,11-14H,2-5,10,15-16H2,1H3
InChIKey VLAUEVKFDPIJOH-UHFFFAOYSA-N
Mol Weight 422.44 g/mol
Molecular Formula C23H25F3O4
Exact Mass 422.170494 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2puUK2gh1St
Name Phthalic acid, heptyl 2-trifluoromethylbenzyl este
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.170493770 u
Formula C23H25F3O4
InChI InChI=1S/C23H25F3O4/c1-2-3-4-5-10-15-29-21(27)18-12-7-8-13-19(18)22(28)30-16-17-11-6-9-14-20(17)23(24,25)26/h6-9,11-14H,2-5,10,15-16H2,1H3
InChIKey VLAUEVKFDPIJOH-UHFFFAOYSA-N
Molecular Weight 422.444 g/mol
SMILES C(C1=CC=CC=C1C(OCC=1C=CC=CC1C(F)(F)F)=O)(OCCCCCCC)=O