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

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

Phthalic acid, 1-(3-bromophenyl)ethyl dodecyl ester
SpectraBase Compound ID 65mJNLTGB9z
InChI InChI=1S/C28H37BrO4/c1-3-4-5-6-7-8-9-10-11-14-20-32-27(30)25-18-12-13-19-26(25)28(31)33-22(2)23-16-15-17-24(29)21-23/h12-13,15-19,21-22H,3-11,14,20H2,1-2H3
InChIKey QYHNWZQRSHMIMD-UHFFFAOYSA-N
Mol Weight 517.5 g/mol
Molecular Formula C28H37BrO4
Exact Mass 516.187523 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 9Mdk2CCjOR4
Name Phthalic acid, 1-(3-bromophenyl)ethyl dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 516.187522667 u
Formula C28H37BrO4
InChI InChI=1S/C28H37BrO4/c1-3-4-5-6-7-8-9-10-11-14-20-32-27(30)25-18-12-13-19-26(25)28(31)33-22(2)23-16-15-17-24(29)21-23/h12-13,15-19,21-22H,3-11,14,20H2,1-2H3
InChIKey QYHNWZQRSHMIMD-UHFFFAOYSA-N
Molecular Weight 517.504 g/mol
SMILES C(C1=CC=CC=C1C(OC(C=1C=C(C=CC1)Br)C)=O)(OCCCCCCCCCCCC)=O