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Acetophenone, 2-[5-(p-bromophenyl)-3-phenyl-2-isoxazolin-5-yl]-
SpectraBase Compound ID 4KFiVMYIos1
InChI InChI=1S/C23H18BrNO2/c24-20-13-11-19(12-14-20)23(16-22(26)18-9-5-2-6-10-18)15-21(25-27-23)17-7-3-1-4-8-17/h1-14H,15-16H2
InChIKey WNFGEVCASVHXJC-UHFFFAOYSA-N
Mol Weight 420.31 g/mol
Molecular Formula C23H18BrNO2
Exact Mass 419.052092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FRKU8w5vwfB
Name Acetophenone, 2-[5-(p-bromophenyl)-3-phenyl-2-isoxazolin-5-yl]-
CAS Registry Number 29809-07-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H18BrNO2
InChI InChI=1S/C23H18BrNO2/c24-20-13-11-19(12-14-20)23(16-22(26)18-9-5-2-6-10-18)15-21(25-27-23)17-7-3-1-4-8-17/h1-14H,15-16H2
InChIKey WNFGEVCASVHXJC-UHFFFAOYSA-N
Molecular Weight 420.306 g/mol
SMILES c1ccc(cc1)C=1CC(CC(c2ccccc2)=O)(c2ccc(cc2)Br)ON1
SPLASH splash10-0udi-3809000000-3d61a3a2456d435570d2
Source of Spectrum O-3-1044-3
Synonyms 2-[5-(4-Bromophenyl)-3-phenyl-4,5-dihydro-5-isoxazolyl]-1-phenylethanone 2-[5-(4-bromophenyl)-3-phenyl-2-isoxazolin-5-yl]-1-phenyl-ethanone 2-[5-(4-bromophenyl)-3-phenyl-4H-1,2-oxazol-5-yl]-1-phenyl-ethanone 2-[5-(4-bromophenyl)-3-phenyl-4H-isoxazol-5-yl]-1-phenyl-ethanone 2-[5-(4-bromophenyl)-3-phenyl-4H-isoxazol-5-yl]-1-phenylethanone
Wiley ID 58719