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2-[2-(carbethoxyamino)benzoyl]malonic acid diethyl ester
SpectraBase Compound ID 4dQIupyw3S3
InChI InChI=1S/C17H21NO7/c1-4-23-15(20)13(16(21)24-5-2)14(19)11-9-7-8-10-12(11)18-17(22)25-6-3/h7-10,19H,4-6H2,1-3H3,(H,18,22)
InChIKey WTMLYQAVLYWSIS-UHFFFAOYSA-N
Mol Weight 351.36 g/mol
Molecular Formula C17H21NO7
Exact Mass 351.131802 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H49ZwDXiJvY
Name 2-[2-(carbethoxyamino)benzoyl]malonic acid diethyl ester
Alternate Name(s) 2-[[2-(ethoxycarbonylamino)phenyl]-oxomethyl]propanedioic acid diethyl ester Diethyl 2-[2-(ethoxycarbonylamino)benzoyl]propanedioate Diethyl 2-[2-(ethoxycarbonylamino)phenyl]carbonylpropanedioate
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Formula C17H21NO7
InChI InChI=1S/C17H21NO7/c1-4-23-15(20)13(16(21)24-5-2)14(19)11-9-7-8-10-12(11)18-17(22)25-6-3/h7-10,19H,4-6H2,1-3H3,(H,18,22)
InChIKey WTMLYQAVLYWSIS-UHFFFAOYSA-N
Molecular Weight 351.355 g/mol
SMILES N(C(=O)OCC)c1c(C(=C(C(=O)OCC)C(=O)OCC)O)cccc1
SPLASH splash10-000b-0900000000-e194b4d379a0b74ef381
Source of Spectrum H1-51-1554-10
Wiley ID 817310