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ERYTHRO-(+/-)-(Z)-6-BENZYLIDENE-3-(ALPHA-BROMOBENZYL)-3-HYDROXY-1,4-DIMETHYL-PIPERAZINE-2,5-DIONE
SpectraBase Compound ID GTgI7vcEspD
InChI InChI=1S/C20H19BrN2O3/c1-22-16(13-14-9-5-3-6-10-14)18(24)23(2)20(26,19(22)25)17(21)15-11-7-4-8-12-15/h3-13,17,26H,1-2H3/b16-13-
InChIKey NFKHJAGPEOCPRE-SSZFMOIBSA-N
Mol Weight 415.29 g/mol
Molecular Formula C20H19BrN2O3
Exact Mass 414.057905 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8suIW2ipAda
Name Threo(+-)-(Z)-6-benzylidene-3-(.alpha.-bromobenzyl)-3-hydroxy-1,4-dimethylpiperazine-2,5-dione
CAS Registry Number 107199-27-9
Comments Less than 3 mono-isotopic peaks
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Formula C20H19BrN2O3
InChI InChI=1S/C20H19BrN2O3/c1-22-16(13-14-9-5-3-6-10-14)18(24)23(2)20(26,19(22)25)17(21)15-11-7-4-8-12-15/h3-13,17,26H,1-2H3/b16-13-
InChIKey NFKHJAGPEOCPRE-SSZFMOIBSA-N
Molecular Weight 415.287 g/mol
SMILES OC1(N(C(=O)\C(N(C1=O)C)=C\c1ccccc1)C)C(c1ccccc1)Br
SPLASH splash10-0002-0090000000-3afda28181b7e92c7e63
Source of Spectrum B-38-1792-9
Synonyms Erythro(+-)-(Z)-6-benzylidene-3-(.alpha.-bromobenzyl)-3-hydroxy-1,4-dimethylpiperazine-2,5-dione (6Z)-6-benzylidene-3-[bromo(phenyl)methyl]-3-hydroxy-1,4-dimethyl-2,5-piperazinedione
Wiley ID 1375260