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1,4-Cyclohexadiene-1-acetic acid, 3,6-dioxo-.alpha.-(2-oxo-3-morpholinylidene)-, methyl ester
SpectraBase Compound ID 4oDkxSip7Zz
InChI InChI=1S/C13H11NO6/c1-19-12(17)10(11-13(18)20-5-4-14-11)8-6-7(15)2-3-9(8)16/h2-3,6,14H,4-5H2,1H3/b11-10-
InChIKey WPLXMFIDJGHLEK-KHPPLWFESA-N
Mol Weight 277.23 g/mol
Molecular Formula C13H11NO6
Exact Mass 277.058637 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3J0N2ntpKrD
Name 1,4-Cyclohexadiene-1-acetic acid, 3,6-dioxo-.alpha.-(2-oxo-3-morpholinylidene)-, methyl ester
Alternate Name(s) methyl (2Z)-(3,6-dioxo-1,4-cyclohexadien-1-yl)(2-oxo-3-morpholinylidene)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
CAS Registry Number 92827-56-0
Comments Less than 3 mono-isotopic peaks
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Formula C13H11NO6
InChI InChI=1S/C13H11NO6/c1-19-12(17)10(11-13(18)20-5-4-14-11)8-6-7(15)2-3-9(8)16/h2-3,6,14H,4-5H2,1H3/b11-10-
InChIKey WPLXMFIDJGHLEK-KHPPLWFESA-N
Molecular Weight 277.232 g/mol
SMILES N1CCOC(\C1=C\(C1=CC(=O)C=CC1=O)C(=O)OC)=O
SPLASH splash10-004i-0090000000-52a6b60cb5a11789cd5e
Source of Spectrum B-37-1269-0
Wiley ID 1280854