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3-Bromo-4-(5-bromo-2-methoxyphenyl)-5-(4-bromobenzyl)-5-hydroxy-1-isobutylpyrrol-2(5H)-one
SpectraBase Compound ID D7OECVTMXmd
InChI InChI=1S/C22H22Br3NO3/c1-13(2)12-26-21(27)20(25)19(17-10-16(24)8-9-18(17)29-3)22(26,28)11-14-4-6-15(23)7-5-14/h4-10,13,28H,11-12H2,1-3H3
InChIKey TUWHLEDJGWKXEP-UHFFFAOYSA-N
Mol Weight 588.13 g/mol
Molecular Formula C22H22Br3NO3
Exact Mass 584.914983 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4i2hG9Wye84
Name 3-Bromo-4-(5-bromo-2-methoxyphenyl)-5-(4-bromobenzyl)-5-hydroxy-1-isobutylpyrrol-2(5H)-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22Br3NO3
InChI InChI=1S/C22H22Br3NO3/c1-13(2)12-26-21(27)20(25)19(17-10-16(24)8-9-18(17)29-3)22(26,28)11-14-4-6-15(23)7-5-14/h4-10,13,28H,11-12H2,1-3H3
InChIKey TUWHLEDJGWKXEP-UHFFFAOYSA-N
Molecular Weight 588.134 g/mol
SMILES OC1(C(=C(C(=O)N1CC(C)C)Br)c1c(ccc(c1)Br)OC)Cc1ccc(cc1)Br
SPLASH splash10-014i-2111900000-68d6aeb1c7e82d358d60
Source of Spectrum EMC-82-134-11c
Synonyms 3-Bromo-4-(5-bromo-2-methoxyphenyl)-5-(4-bromobenzyl)-5-hydroxy-1-isobutyl-1H-pyrrol-2(5H)-one 3-Bromo-4-(5-bromo-2-methoxyphenyl)-5-[(4-bromophenyl)methyl]-5-hydroxy-1-(2-methylpropyl)-2-pyrrolone 3-Bromo-4-(5-bromo-2-methoxyphenyl)-5-[(4-bromophenyl)methyl]-5-hydroxy-1-(2-methylpropyl)pyrrol-2-one 3-Bromo-4-(5-bromo-2-methoxy-phenyl)-5-[(4-bromophenyl)methyl]-5-hydroxy-1-isobutyl-pyrrol-2-one 3-Bromanyl-4-(5-bromanyl-2-methoxy-phenyl)-5-[(4-bromophenyl)methyl]-1-(2-methylpropyl)-5-oxidanyl-pyrrol-2-one
Wiley ID 1740114