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2-(1-anilinocyclopropyl)malonic acid diethyl ester
SpectraBase Compound ID 5xsX23iACjm
InChI InChI=1S/C16H21NO4/c1-3-20-14(18)13(15(19)21-4-2)16(10-11-16)17-12-8-6-5-7-9-12/h5-9,13,17H,3-4,10-11H2,1-2H3
InChIKey PAHMHJXWCBKYIP-UHFFFAOYSA-N
Mol Weight 291.35 g/mol
Molecular Formula C16H21NO4
Exact Mass 291.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5pVRPz99jPV
Name 2-(1-anilinocyclopropyl)malonic acid diethyl ester
Alternate Name(s) 2-(1-anilinocyclopropyl)propanedioic acid diethyl ester Diethyl 2-(1-anilinocyclopropyl)propanedioate Diethyl 2-(1-phenylazanylcyclopropyl)propanedioate
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Formula C16H21NO4
InChI InChI=1S/C16H21NO4/c1-3-20-14(18)13(15(19)21-4-2)16(10-11-16)17-12-8-6-5-7-9-12/h5-9,13,17H,3-4,10-11H2,1-2H3
InChIKey PAHMHJXWCBKYIP-UHFFFAOYSA-N
Molecular Weight 291.347 g/mol
SMILES N(C1(C(C(=O)OCC)C(=O)OCC)CC1)c1ccccc1
SPLASH splash10-008c-0920000000-0dd84255a6648123e1f5
Source of Spectrum K1-2004-4000-10
Wiley ID 1561640