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Phthalic acid, di(3-bromobenzyl) ester

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Phthalic acid, di(3-bromobenzyl) ester
SpectraBase Compound ID 7SusScCoIgU
InChI InChI=1S/C22H16Br2O4/c23-17-7-3-5-15(11-17)13-27-21(25)19-9-1-2-10-20(19)22(26)28-14-16-6-4-8-18(24)12-16/h1-12H,13-14H2
InChIKey XRTGLJJOPORWAD-UHFFFAOYSA-N
Mol Weight 504.17 g/mol
Molecular Formula C22H16Br2O4
Exact Mass 501.941535 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4QOOOPR2ZQf
Name Phthalic acid, di(3-bromobenzyl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 501.941534991 u
Formula C22H16Br2O4
InChI InChI=1S/C22H16Br2O4/c23-17-7-3-5-15(11-17)13-27-21(25)19-9-1-2-10-20(19)22(26)28-14-16-6-4-8-18(24)12-16/h1-12H,13-14H2
InChIKey XRTGLJJOPORWAD-UHFFFAOYSA-N
Molecular Weight 504.174 g/mol
SMILES C1=CC=CC(=C1C(OCC1=CC=CC(=C1)Br)=O)C(OCC1=CC=CC(=C1)Br)=O