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2,5-Piperazinedione, 3-hydroxy-1,4-dimethyl-3-(phenylmethyl)-6-(phenylmethylene)-, (Z)-(.+-.)-
SpectraBase Compound ID 7En4Hfwrl2S
InChI InChI=1S/C20H20N2O3/c1-21-17(13-15-9-5-3-6-10-15)18(23)22(2)20(25,19(21)24)14-16-11-7-4-8-12-16/h3-13,25H,14H2,1-2H3/b17-13-
InChIKey PEHYKVLFRHRABD-LGMDPLHJSA-N
Mol Weight 336.39 g/mol
Molecular Formula C20H20N2O3
Exact Mass 336.147393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID SKM3hMMY5Y
Name 2,5-Piperazinedione, 3-hydroxy-1,4-dimethyl-3-(phenylmethyl)-6-(phenylmethylene)-, (Z)-(.+-.)-
CAS Registry Number 107199-31-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20N2O3
InChI InChI=1S/C20H20N2O3/c1-21-17(13-15-9-5-3-6-10-15)18(23)22(2)20(25,19(21)24)14-16-11-7-4-8-12-16/h3-13,25H,14H2,1-2H3/b17-13-
InChIKey PEHYKVLFRHRABD-LGMDPLHJSA-N
Molecular Weight 336.391 g/mol
SMILES OC1(N(C(=O)\C(N(C1=O)C)=C\c1ccccc1)C)Cc1ccccc1
SPLASH splash10-0002-0090000000-e13667a19b1c91c432f5
Source of Spectrum B-38-1794-19
Synonyms (+-)-(Z)-3-Benzyl-6-benzylidene-3-hydroxy-1,4-dimethylpiperazine-2,5-dione (6Z)-3-benzyl-6-benzylidene-3-hydroxy-1,4-dimethyl-2,5-piperazinedione
Wiley ID 1332506