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2,5-Piperazinedione, 3,6-bis[[4-(acetyloxy)phenyl]methylene]-
SpectraBase Compound ID 2rCAzzGHUG4
InChI InChI=1S/C22H18N2O6/c1-13(25)29-17-7-3-15(4-8-17)11-19-21(27)24-20(22(28)23-19)12-16-5-9-18(10-6-16)30-14(2)26/h3-12H,1-2H3,(H,23,28)(H,24,27)/b19-11-,20-12-
InChIKey LMYXNQMBOAMNTN-YZLQMOBTSA-N
Mol Weight 406.39 g/mol
Molecular Formula C22H18N2O6
Exact Mass 406.116486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Je7bfhhitXN
Name 2,5-Piperazinedione, 3,6-bis[[4-(acetyloxy)phenyl]methylene]-
Alternate Name(s) ((1Z,1'Z)-(3,6-dioxopiperazine-2,5-diylidene)bis(methanylylidene))bis(4,1-phenylene) diacetate Acetic acid [4-[(Z)-[(5Z)-5-[(4-acetyloxyphenyl)methylidene]-3,6-dioxo-2-piperazinylidene]methyl]phenyl] ester [4-[(Z)-[(5Z)-5-[(4-acetyloxyphenyl)methylidene]-3,6-dioxopiperazin-2-ylidene]methyl]phenyl] acetate [4-[(Z)-[(5Z)-5-[(4-acetoxyphenyl)methylene]-3,6-dioxo-piperazin-2-ylidene]methyl]phenyl] acetate [4-[(Z)-[(5Z)-5-[(4-acetyloxyphenyl)methylidene]-3,6-bis(oxidanylidene)piperazin-2-ylidene]methyl]phenyl] ethanoate
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Formula C22H18N2O6
InChI InChI=1S/C22H18N2O6/c1-13(25)29-17-7-3-15(4-8-17)11-19-21(27)24-20(22(28)23-19)12-16-5-9-18(10-6-16)30-14(2)26/h3-12H,1-2H3,(H,23,28)(H,24,27)/b19-11-,20-12-
InChIKey LMYXNQMBOAMNTN-YZLQMOBTSA-N
Molecular Weight 406.394 g/mol
SMILES N1C(\C(=C\c2ccc(OC(C)=O)cc2)NC(\C1=C/c1ccc(OC(C)=O)cc1)=O)=O
SPLASH splash10-00di-1309100000-1a7c51e17a141728f2d5
Source of Spectrum JX-2015-4-85
Wiley ID 1725537