For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Phthalic acid, 2-bromo-4-fluorophenyl isohexyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-bromo-4-fluorophenyl isohexyl ester
SpectraBase Compound ID 42ytM5niI9R
InChI InChI=1S/C20H20BrFO4/c1-13(2)6-5-11-25-19(23)15-7-3-4-8-16(15)20(24)26-18-10-9-14(22)12-17(18)21/h3-4,7-10,12-13H,5-6,11H2,1-2H3
InChIKey CVHATTLWKPXWQM-UHFFFAOYSA-N
Mol Weight 423.28 g/mol
Molecular Formula C20H20BrFO4
Exact Mass 422.0529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6l13LYLzQqn
Name Phthalic acid, 2-bromo-4-fluorophenyl isohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.052900283 u
Formula C20H20BrFO4
InChI InChI=1S/C20H20BrFO4/c1-13(2)6-5-11-25-19(23)15-7-3-4-8-16(15)20(24)26-18-10-9-14(22)12-17(18)21/h3-4,7-10,12-13H,5-6,11H2,1-2H3
InChIKey CVHATTLWKPXWQM-UHFFFAOYSA-N
Molecular Weight 423.278 g/mol
SMILES CC(C)CCCOC(C1=CC=CC=C1C(OC1=CC=C(C=C1Br)F)=O)=O