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2-(Trifluoromethyl)benzoic acid. heptadecyl ester

View entire compound with spectra: 1 NMR

2-(Trifluoromethyl)benzoic acid. heptadecyl ester
SpectraBase Compound ID 23tJnlk8WIs
InChI InChI=1S/C25H39F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-30-24(29)22-19-16-17-20-23(22)25(26,27)28/h16-17,19-20H,2-15,18,21H2,1H3
InChIKey JIZBIUMBGWFTAJ-UHFFFAOYSA-N
Mol Weight 428.6 g/mol
Molecular Formula C25H39F3O2
Exact Mass 428.290215 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KmZEDkbdtA6
Name 2-(Trifluoromethyl)benzoic acid. heptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.290214983 u
Formula C25H39F3O2
InChI InChI=1S/C25H39F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-30-24(29)22-19-16-17-20-23(22)25(26,27)28/h16-17,19-20H,2-15,18,21H2,1H3
InChIKey JIZBIUMBGWFTAJ-UHFFFAOYSA-N
Molecular Weight 428.580 g/mol
SMILES C(CCCCCCCCCCCC)CCCCOC(=O)C1=CC=CC=C1C(F)(F)F