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2,5-Piperazinedione, 3-(bromophenylmethyl)-3-methoxy-1,4-dimethyl-6-(phenylmethylene)-, [R*,R*-(Z)]-(.+-.)-
SpectraBase Compound ID 4S5qT2hvVwc
InChI InChI=1S/C21H21BrN2O3/c1-23-17(14-15-10-6-4-7-11-15)19(25)24(2)21(27-3,20(23)26)18(22)16-12-8-5-9-13-16/h4-14,18H,1-3H3/b17-14-
InChIKey RTKGWOCUNZZCDB-VKAVYKQESA-N
Mol Weight 429.31 g/mol
Molecular Formula C21H21BrN2O3
Exact Mass 428.073556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7g9DzwTXf4K
Name 2,5-Piperazinedione, 3-(bromophenylmethyl)-3-methoxy-1,4-dimethyl-6-(phenylmethylene)-, [R*,R*-(Z)]-(.+-.)-
CAS Registry Number 107199-28-0
Comments Less than 3 mono-isotopic peaks
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Formula C21H21BrN2O3
InChI InChI=1S/C21H21BrN2O3/c1-23-17(14-15-10-6-4-7-11-15)19(25)24(2)21(27-3,20(23)26)18(22)16-12-8-5-9-13-16/h4-14,18H,1-3H3/b17-14-
InChIKey RTKGWOCUNZZCDB-VKAVYKQESA-N
Molecular Weight 429.314 g/mol
SMILES C1(N(C(=O)\C(N(C1=O)C)=C\c1ccccc1)C)(C(c1ccccc1)Br)OC
SPLASH splash10-0a4i-0090000000-e281e97535143460c811
Source of Spectrum B-38-1793-18
Synonyms (+-)-(Z)-6-Benzylidene-3-(.alpha.-bromobenzyl)-3-methoxy-1,4-dimethylpiperazine-2,5-dione (6Z)-6-benzylidene-3-[bromo(phenyl)methyl]-3-methoxy-1,4-dimethyl-2,5-piperazinedione
Wiley ID 1380602