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Isophthalic acid, 4-bromophenyl nonyl ester

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Isophthalic acid, 4-bromophenyl nonyl ester
SpectraBase Compound ID 6wlioDFWJ8a
InChI InChI=1S/C23H27BrO4/c1-2-3-4-5-6-7-8-16-27-22(25)18-10-9-11-19(17-18)23(26)28-21-14-12-20(24)13-15-21/h9-15,17H,2-8,16H2,1H3
InChIKey KRRMVCPENVVIPF-UHFFFAOYSA-N
Mol Weight 447.37 g/mol
Molecular Formula C23H27BrO4
Exact Mass 446.109272 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fqh2eX5p461
Name Isophthalic acid, 4-bromophenyl nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.109272345 u
Formula C23H27BrO4
InChI InChI=1S/C23H27BrO4/c1-2-3-4-5-6-7-8-16-27-22(25)18-10-9-11-19(17-18)23(26)28-21-14-12-20(24)13-15-21/h9-15,17H,2-8,16H2,1H3
InChIKey KRRMVCPENVVIPF-UHFFFAOYSA-N
Molecular Weight 447.369 g/mol
SMILES C1(=CC=C(C=C1)Br)OC(C1=CC(=CC=C1)C(OCCCCCCCCC)=O)=O