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Phthalic acid, 4-bromobenzyl dodecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 4-bromobenzyl dodecyl ester
SpectraBase Compound ID 9k8wdV8l0yb
InChI InChI=1S/C27H35BrO4/c1-2-3-4-5-6-7-8-9-10-13-20-31-26(29)24-14-11-12-15-25(24)27(30)32-21-22-16-18-23(28)19-17-22/h11-12,14-19H,2-10,13,20-21H2,1H3
InChIKey CRXUVNFHWNIKKA-UHFFFAOYSA-N
Mol Weight 503.5 g/mol
Molecular Formula C27H35BrO4
Exact Mass 502.171873 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2mmSgwE5Gfa
Name Phthalic acid, 4-bromobenzyl dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 502.171872603 u
Formula C27H35BrO4
InChI InChI=1S/C27H35BrO4/c1-2-3-4-5-6-7-8-9-10-13-20-31-26(29)24-14-11-12-15-25(24)27(30)32-21-22-16-18-23(28)19-17-22/h11-12,14-19H,2-10,13,20-21H2,1H3
InChIKey CRXUVNFHWNIKKA-UHFFFAOYSA-N
Molecular Weight 503.477 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCCCC)=O)C(OCC1=CC=C(C=C1)Br)=O