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Isoxazole, 4,4'-methylenebis[5-(4-bromophenyl)-3-methyl-
SpectraBase Compound ID FAXkhpotH9l
InChI InChI=1S/C21H16Br2N2O2/c1-12-18(20(26-24-12)14-3-7-16(22)8-4-14)11-19-13(2)25-27-21(19)15-5-9-17(23)10-6-15/h3-10H,11H2,1-2H3
InChIKey BVRICPKBMMWHOI-UHFFFAOYSA-N
Mol Weight 488.18 g/mol
Molecular Formula C21H16Br2N2O2
Exact Mass 485.957854 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4qWhX02d39O
Name Isoxazole, 4,4'-methylenebis[5-(4-bromophenyl)-3-methyl-
CAS Registry Number 84198-61-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16Br2N2O2
InChI InChI=1S/C21H16Br2N2O2/c1-12-18(20(26-24-12)14-3-7-16(22)8-4-14)11-19-13(2)25-27-21(19)15-5-9-17(23)10-6-15/h3-10H,11H2,1-2H3
InChIKey BVRICPKBMMWHOI-UHFFFAOYSA-N
Molecular Weight 488.179 g/mol
SMILES c1(c(onc1C)-c1ccc(cc1)Br)Cc1c(onc1C)-c1ccc(cc1)Br
SPLASH splash10-053i-0910400000-863788c585109f8dfad5
Source of Spectrum O-19-76-14
Synonyms 5,5'-di-p-bromophenyl-3,3'-dimethyl-4,4'-methylendiisoxazole 5-(4-bromophenyl)-4-{[5-(4-bromophenyl)-3-methyl-4-isoxazolyl]methyl}-3-methylisoxazole
Wiley ID 1396381