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

*Links on SpectraBase are not permalinks.

Phthalic acid, 2-(3-bromophenyl)ethyl decyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-(3-bromophenyl)ethyl decyl ester
SpectraBase Compound ID 4gmI2YKq9NI
InChI InChI=1S/C26H33BrO4/c1-2-3-4-5-6-7-8-11-18-30-25(28)23-15-9-10-16-24(23)26(29)31-19-17-21-13-12-14-22(27)20-21/h9-10,12-16,20H,2-8,11,17-19H2,1H3
InChIKey XWBNDGAJBJXJHQ-UHFFFAOYSA-N
Mol Weight 489.5 g/mol
Molecular Formula C26H33BrO4
Exact Mass 488.156223 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 4hJolERCdjP
Name Phthalic acid, 2-(3-bromophenyl)ethyl decyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 488.156222539 u
Formula C26H33BrO4
InChI InChI=1S/C26H33BrO4/c1-2-3-4-5-6-7-8-11-18-30-25(28)23-15-9-10-16-24(23)26(29)31-19-17-21-13-12-14-22(27)20-21/h9-10,12-16,20H,2-8,11,17-19H2,1H3
InChIKey XWBNDGAJBJXJHQ-UHFFFAOYSA-N
Molecular Weight 489.450 g/mol
SMILES C(C1=CC=CC=C1C(OCCC1=CC(=CC=C1)Br)=O)(OCCCCCCCCCC)=O