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

View entire compound with spectra: 1 NMR

Phthalic acid, 1-(3-bromophenyl)ethyl nonyl ester
SpectraBase Compound ID 4pzo00NcgcA
InChI InChI=1S/C25H31BrO4/c1-3-4-5-6-7-8-11-17-29-24(27)22-15-9-10-16-23(22)25(28)30-19(2)20-13-12-14-21(26)18-20/h9-10,12-16,18-19H,3-8,11,17H2,1-2H3
InChIKey BCQOJXNSAYBLKS-UHFFFAOYSA-N
Mol Weight 475.42 g/mol
Molecular Formula C25H31BrO4
Exact Mass 474.140572 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DDEklgNLEBS
Name Phthalic acid, 1-(3-bromophenyl)ethyl nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 474.140572474 u
Formula C25H31BrO4
InChI InChI=1S/C25H31BrO4/c1-3-4-5-6-7-8-11-17-29-24(27)22-15-9-10-16-23(22)25(28)30-19(2)20-13-12-14-21(26)18-20/h9-10,12-16,18-19H,3-8,11,17H2,1-2H3
InChIKey BCQOJXNSAYBLKS-UHFFFAOYSA-N
Molecular Weight 475.423 g/mol
SMILES C(C1=CC=CC=C1C(OC(C=1C=C(C=CC1)Br)C)=O)(OCCCCCCCCC)=O