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1,4-Cyclohexadiene-1-acetic acid, 3,6-dioxo-.alpha.-(3-oxopiperazinylidene)-, methyl ester
SpectraBase Compound ID 9xfSLvNhnuC
InChI InChI=1S/C13H12N2O5/c1-20-13(19)10(11-12(18)15-5-4-14-11)8-6-7(16)2-3-9(8)17/h2-3,6,14H,4-5H2,1H3,(H,15,18)/b11-10-
InChIKey WEVDOUHFBLPRRY-KHPPLWFESA-N
Mol Weight 276.25 g/mol
Molecular Formula C13H12N2O5
Exact Mass 276.074621 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KAPAUv8MKlf
Name 1,4-Cyclohexadiene-1-acetic acid, 3,6-dioxo-.alpha.-(3-oxopiperazinylidene)-, methyl ester
CAS Registry Number 92827-55-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N2O5
InChI InChI=1S/C13H12N2O5/c1-20-13(19)10(11-12(18)15-5-4-14-11)8-6-7(16)2-3-9(8)17/h2-3,6,14H,4-5H2,1H3,(H,15,18)/b11-10-
InChIKey WEVDOUHFBLPRRY-KHPPLWFESA-N
Molecular Weight 276.248 g/mol
SMILES N1CCN\C(=C\(C2=CC(=O)C=CC2=O)C(=O)OC)C1=O
SPLASH splash10-0006-0090000000-47f017515f80c7a0a32b
Source of Spectrum B-37-1269-0
Synonyms Methyl (2Z)-(3,6-dioxo-1,4-cyclohexadien-1-yl)(3-oxo-2-piperazinylidene)ethanoate Methyl (3',6'-dioxocyclohexa-1',4'-dienyl)(2''-oxomorpholin-3''-ylidene)acetate Methyl (3',6'-dioxocyclohexa-1',4'-dienyl)(2''-oxomorpholin-3''-ylidene)acetate Methyl (3',6'-dioxocyclohexa-1',4'-dienyl)(3''-oxopiperazin-2''-ylidene)acetate Methyl (3',6'-dioxocyclohexa-1',4'-dienyl)(3''-oxopiperazin-2''-ylidene)acetate
Wiley ID 1279745