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2,2-Diethyl 1-Benzyl 3-cyanoaziridine-1,2,2-dicarboxylate
SpectraBase Compound ID 24YM3emDQyM
InChI InChI=1S/C17H18N2O6/c1-3-23-14(20)17(15(21)24-4-2)13(10-18)19(17)16(22)25-11-12-8-6-5-7-9-12/h5-9,13H,3-4,11H2,1-2H3
InChIKey PJWZAXRUYYNQMI-UHFFFAOYSA-N
Mol Weight 346.34 g/mol
Molecular Formula C17H18N2O6
Exact Mass 346.116486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6PCnBrfnb3C
Name 2,2-Diethyl 1-Benzyl 3-cyanoaziridine-1,2,2-dicarboxylate
Alternate Name(s) 3-cyanoaziridine-1,2,2-tricarboxylic acid O2,O2'-diethyl ester O1-(phenylmethyl) ester 1-O-benzyl 2-O,2-O'-diethyl 3-cyanoaziridine-1,2,2-tricarboxylate O1-benzyl O2,O2'-diethyl 3-cyanoaziridine-1,2,2-tricarboxylate O2,O2'-diethyl O1-(phenylmethyl) 3-cyanoaziridine-1,2,2-tricarboxylate
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Formula C17H18N2O6
InChI InChI=1S/C17H18N2O6/c1-3-23-14(20)17(15(21)24-4-2)13(10-18)19(17)16(22)25-11-12-8-6-5-7-9-12/h5-9,13H,3-4,11H2,1-2H3
InChIKey PJWZAXRUYYNQMI-UHFFFAOYSA-N
Molecular Weight 346.339 g/mol
SMILES C1(N(C(OCc2ccccc2)=O)C1C#N)(C(=O)OCC)C(=O)OCC
SPLASH splash10-0006-9300000000-8a44a42e37718587e3d4
Source of Spectrum K1-2003-4551-14
Wiley ID 1521724