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2,5-Piperazinedione, 3-methoxy-1,4-dimethyl-3-(phenylmethyl)-6-(phenylmethylene)-, (Z)-(.+-.)-
SpectraBase Compound ID H2S6c73n6Vt
InChI InChI=1S/C21H22N2O3/c1-22-18(14-16-10-6-4-7-11-16)19(24)23(2)21(26-3,20(22)25)15-17-12-8-5-9-13-17/h4-14H,15H2,1-3H3/b18-14-
InChIKey ILHRDVCFWIHGHV-JXAWBTAJSA-N
Mol Weight 350.42 g/mol
Molecular Formula C21H22N2O3
Exact Mass 350.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2wYJLSpBWrc
Name 2,5-Piperazinedione, 3-methoxy-1,4-dimethyl-3-(phenylmethyl)-6-(phenylmethylene)-, (Z)-(.+-.)-
CAS Registry Number 107199-32-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O3
InChI InChI=1S/C21H22N2O3/c1-22-18(14-16-10-6-4-7-11-16)19(24)23(2)21(26-3,20(22)25)15-17-12-8-5-9-13-17/h4-14H,15H2,1-3H3/b18-14-
InChIKey ILHRDVCFWIHGHV-JXAWBTAJSA-N
Molecular Weight 350.418 g/mol
SMILES C1(N(C(=O)\C(N(C1=O)C)=C\c1ccccc1)C)(Cc1ccccc1)OC
SPLASH splash10-0a4i-0090000000-79e1ec0988f2796d7250
Source of Spectrum B-38-1794-5
Synonyms (+-)-(Z)-3-Benzyl-6-benzylidene-3-methoxy-1,4-dimethylpiperazine-2,5-dione (6Z)-3-benzyl-6-benzylidene-3-methoxy-1,4-dimethyl-2,5-piperazinedione
Wiley ID 1342080