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2-(cyclohexyliminomethylene)-3-(2,4-diketo-3,1-benzoxazin-1-yl)succinic acid dimethyl ester
SpectraBase Compound ID 8qFDEJC0NJk
InChI InChI=1S/C21H22N2O7/c1-28-18(24)15(12-22-13-8-4-3-5-9-13)17(20(26)29-2)23-16-11-7-6-10-14(16)19(25)30-21(23)27/h6-7,10-11,13,17H,3-5,8-9H2,1-2H3
InChIKey SBBJRAAEEYLSPA-UHFFFAOYSA-N
Mol Weight 414.41 g/mol
Molecular Formula C21H22N2O7
Exact Mass 414.142701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1JLG046E52
Name 2-(cyclohexyliminomethylene)-3-(2,4-diketo-3,1-benzoxazin-1-yl)succinic acid dimethyl ester
Alternate Name(s) 2-(cyclohexyliminomethylidene)-3-(2,4-dioxo-3,1-benzoxazin-1-yl)butanedioic acid dimethyl ester Dimethyl 2-(cyclohexyliminomethylene)-3-(2,4-dioxo-3,1-benzoxazin-1-yl)butanedioate Dimethyl 2-(cyclohexyliminomethylidene)-3-(2,4-dioxo-3,1-benzoxazin-1-yl)butanedioate Dimethyl 2-[2,4-bis(oxidanylidene)-3,1-benzoxazin-1-yl]-3-(cyclohexyliminomethylidene)butanedioate
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Formula C21H22N2O7
InChI InChI=1S/C21H22N2O7/c1-28-18(24)15(12-22-13-8-4-3-5-9-13)17(20(26)29-2)23-16-11-7-6-10-14(16)19(25)30-21(23)27/h6-7,10-11,13,17H,3-5,8-9H2,1-2H3
InChIKey SBBJRAAEEYLSPA-UHFFFAOYSA-N
Molecular Weight 414.414 g/mol
SMILES C1(N(c2c(C(O1)=O)cccc2)C(C(=C=NC1CCCCC1)C(=O)OC)C(=O)OC)=O
SPLASH splash10-0fl0-3950000000-b3fa2119e09c7b2f90af
Source of Spectrum CV-0-83-4
Wiley ID 872795