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2,5-Piperazinedione, 3-(hydroxyphenylmethyl)-1,4-dimethyl-6-(phenylmethylene)-, [R*,R*-(Z)]-(.+-.)-
SpectraBase Compound ID EKcprGLxIGN
InChI InChI=1S/C20H20N2O3/c1-21-16(13-14-9-5-3-6-10-14)19(24)22(2)17(20(21)25)18(23)15-11-7-4-8-12-15/h3-13,17-18,23H,1-2H3/b16-13-
InChIKey FJCBMOCKOHIDBI-SSZFMOIBSA-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 8pV1XOA3kio
Name 2,5-Piperazinedione, 3-(hydroxyphenylmethyl)-1,4-dimethyl-6-(phenylmethylene)-, [R*,R*-(Z)]-(.+-.)-
Alternate Name(s) (+-)-(Z)-6-Benzylidene-3-(.alpha.-hydroxybenzyl)-1,4-dimethylpiperazine-2,5-dione (3Z)-3-benzylidene-6-[hydroxy(phenyl)methyl]-1,4-dimethyl-2,5-piperazinedione
CAS Registry Number 107199-29-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20N2O3
InChI InChI=1S/C20H20N2O3/c1-21-16(13-14-9-5-3-6-10-14)19(24)22(2)17(20(21)25)18(23)15-11-7-4-8-12-15/h3-13,17-18,23H,1-2H3/b16-13-
InChIKey FJCBMOCKOHIDBI-SSZFMOIBSA-N
Molecular Weight 336.391 g/mol
SMILES OC(C1N(C(=O)\C(N(C1=O)C)=C\c1ccccc1)C)c1ccccc1
SPLASH splash10-0a4i-0903000000-47dd55405a367f3de19d
Source of Spectrum B-38-1792-13
Wiley ID 1332505