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4-Allyl-6-benzyl-6-(4-bromobenzyl)piperazin-2,3,5-trione
SpectraBase Compound ID FkyeZrzBhVw
InChI InChI=1S/C21H19BrN2O3/c1-2-12-24-19(26)18(25)23-21(20(24)27,13-15-6-4-3-5-7-15)14-16-8-10-17(22)11-9-16/h2-11H,1,12-14H2,(H,23,25)
InChIKey DMJVTZMAYPMJFQ-UHFFFAOYSA-N
Mol Weight 427.3 g/mol
Molecular Formula C21H19BrN2O3
Exact Mass 426.057905 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID qc3RDG4yre
Name 4-Allyl-6-benzyl-6-(4-bromobenzyl)piperazin-2,3,5-trione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19BrN2O3
InChI InChI=1S/C21H19BrN2O3/c1-2-12-24-19(26)18(25)23-21(20(24)27,13-15-6-4-3-5-7-15)14-16-8-10-17(22)11-9-16/h2-11H,1,12-14H2,(H,23,25)
InChIKey DMJVTZMAYPMJFQ-UHFFFAOYSA-N
Molecular Weight 427.298 g/mol
SMILES N1C(C(N(C(C1=O)=O)CC=C)=O)(Cc1ccc(cc1)Br)Cc1ccccc1
SPLASH splash10-0006-9000000000-a68ba68f37b011495e20
Source of Spectrum K-2001-3250-22
Synonyms 4-Allyl-6-benzyl-6-(4-bromobenzyl)-2,3,5-piperazinetrione
Wiley ID 1580156