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

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

Phthalic acid, 2-bromo-4-fluorophenyl 2-ethylhexyl ester
SpectraBase Compound ID CkYpzfv657p
InChI InChI=1S/C22H24BrFO4/c1-3-5-8-15(4-2)14-27-21(25)17-9-6-7-10-18(17)22(26)28-20-12-11-16(24)13-19(20)23/h6-7,9-13,15H,3-5,8,14H2,1-2H3
InChIKey QFVCHDLXTMVKCS-UHFFFAOYSA-N
Mol Weight 451.33 g/mol
Molecular Formula C22H24BrFO4
Exact Mass 450.0842 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 AuJPiztPaFU
Name Phthalic acid, 2-bromo-4-fluorophenyl 2-ethylhexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 450.084200412 u
Formula C22H24BrFO4
InChI InChI=1S/C22H24BrFO4/c1-3-5-8-15(4-2)14-27-21(25)17-9-6-7-10-18(17)22(26)28-20-12-11-16(24)13-19(20)23/h6-7,9-13,15H,3-5,8,14H2,1-2H3
InChIKey QFVCHDLXTMVKCS-UHFFFAOYSA-N
Molecular Weight 451.332 g/mol
SMILES C1(=C(C=CC=C1)C(OCC(CC)CCCC)=O)C(OC1=CC=C(C=C1Br)F)=O