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(E)-1-ACETYL-3-(4,4-DIMETHYL-3,5-DIOXOCYCLOHEPTYLIDENE)-2,5-PIPERAZINEDIONE
SpectraBase Compound ID IhomygKObvj
InChI InChI=1S/C13H18N2O5/c1-8(16)15-6-10(17)14-11(12(15)18)9-4-5-19-13(2,3)20-7-9/h4-7H2,1-3H3,(H,14,17)/b11-9+
InChIKey CAUIIPDSKGTDKB-PKNBQFBNSA-N
Mol Weight 282.3 g/mol
Molecular Formula C13H18N2O5
Exact Mass 282.121572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 48LJ65PSdO8
Name (3E)-1-acetyl-3-(2,2-dimethyl-1,3-dioxepan-5-ylidene)piperazine-2,5-dione
Alternate Name(s) (3E)-1-acetyl-3-(2,2-dimethyl-1,3-dioxepan-5-ylidene)piperazine-2,5-quinone (3E)-3-(2,2-dimethyl-1,3-dioxepan-5-ylidene)-1-ethanoyl-piperazine-2,5-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18N2O5
InChI InChI=1S/C13H18N2O5/c1-8(16)15-6-10(17)14-11(12(15)18)9-4-5-19-13(2,3)20-7-9/h4-7H2,1-3H3,(H,14,17)/b11-9+
InChIKey CAUIIPDSKGTDKB-PKNBQFBNSA-N
Molecular Weight 282.296 g/mol
SMILES N1\C(C(N(CC1=O)C(=O)C)=O)=C\1COC(C)(C)OCC1
SPLASH splash10-0089-0950000000-f9ef54c17718fe9e7ef9
Source of Spectrum J-57-3668-12
Wiley ID 1285498