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

*Links on SpectraBase are not permalinks.

Phthalic acid, 1-(3-bromophenyl)ethyl pentyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 1-(3-bromophenyl)ethyl pentyl ester
SpectraBase Compound ID 5TgQIMTCKaC
InChI InChI=1S/C21H23BrO4/c1-3-4-7-13-25-20(23)18-11-5-6-12-19(18)21(24)26-15(2)16-9-8-10-17(22)14-16/h5-6,8-12,14-15H,3-4,7,13H2,1-2H3
InChIKey PGAVLBVZHAQGNI-UHFFFAOYSA-N
Mol Weight 419.32 g/mol
Molecular Formula C21H23BrO4
Exact Mass 418.077972 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 Ck1TYZuinMP
Name Phthalic acid, 1-(3-bromophenyl)ethyl pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.077972217 u
Formula C21H23BrO4
InChI InChI=1S/C21H23BrO4/c1-3-4-7-13-25-20(23)18-11-5-6-12-19(18)21(24)26-15(2)16-9-8-10-17(22)14-16/h5-6,8-12,14-15H,3-4,7,13H2,1-2H3
InChIKey PGAVLBVZHAQGNI-UHFFFAOYSA-N
Molecular Weight 419.315 g/mol
SMILES C(C1=CC=CC=C1C(OC(C=1C=C(C=CC1)Br)C)=O)(OCCCCC)=O