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4-(4-bromophenyl)-2-(3,4-dimethylphenyl)-4-oxobutanoic acid

View entire compound with spectra: 1 MS (GC)

4-(4-bromophenyl)-2-(3,4-dimethylphenyl)-4-oxobutanoic acid
SpectraBase Compound ID 7Jasp80v9C8
InChI InChI=1S/C18H17BrO3/c1-11-3-4-14(9-12(11)2)16(18(21)22)10-17(20)13-5-7-15(19)8-6-13/h3-9,16H,10H2,1-2H3,(H,21,22)
InChIKey FNDNHZKGAAFAKK-UHFFFAOYSA-N
Mol Weight 361.24 g/mol
Molecular Formula C18H17BrO3
Exact Mass 360.036107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 14AT6FKhQf3
Name 4-(4-bromophenyl)-2-(3,4-dimethylphenyl)-4-oxobutanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17BrO3
InChI InChI=1S/C18H17BrO3/c1-11-3-4-14(9-12(11)2)16(18(21)22)10-17(20)13-5-7-15(19)8-6-13/h3-9,16H,10H2,1-2H3,(H,21,22)
InChIKey FNDNHZKGAAFAKK-UHFFFAOYSA-N
Molecular Weight 361.235 g/mol
SMILES OC(C(CC(c1ccc(cc1)Br)=O)c1cc(c(cc1)C)C)=O
SPLASH splash10-00lr-4903000000-f5a927fb6e5341a95d76
Source of Spectrum QA-55-1246-2a
Wiley ID 1796502