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Phthalic acid, 4-bromophenyl 3,5-dimethylphenyl ester

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Phthalic acid, 4-bromophenyl 3,5-dimethylphenyl ester
SpectraBase Compound ID 5MeATPY21kO
InChI InChI=1S/C22H17BrO4/c1-14-11-15(2)13-18(12-14)27-22(25)20-6-4-3-5-19(20)21(24)26-17-9-7-16(23)8-10-17/h3-13H,1-2H3
InChIKey FDGSRYAKKUYLPN-UHFFFAOYSA-N
Mol Weight 425.28 g/mol
Molecular Formula C22H17BrO4
Exact Mass 424.031022 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G4yRGvpn1QL
Name Phthalic acid, 4-bromophenyl 3,5-dimethylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.031022023 u
Formula C22H17BrO4
InChI InChI=1S/C22H17BrO4/c1-14-11-15(2)13-18(12-14)27-22(25)20-6-4-3-5-19(20)21(24)26-17-9-7-16(23)8-10-17/h3-13H,1-2H3
InChIKey FDGSRYAKKUYLPN-UHFFFAOYSA-N
Molecular Weight 425.278 g/mol
SMILES C1=C(C(=CC=C1)C(OC1=CC(=CC(=C1)C)C)=O)C(OC1=CC=C(C=C1)Br)=O