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(2R,3R)-1-(4-chlorophenyl)-3-(4-methylphenyl)-2-aziridinecarboxylic acid ethyl ester
SpectraBase Compound ID L21VcV5Qg83
InChI InChI=1S/C18H18ClNO2/c1-3-22-18(21)17-16(13-6-4-12(2)5-7-13)20(17)15-10-8-14(19)9-11-15/h4-11,16-17H,3H2,1-2H3/t16-,17-,20?/m1/s1
InChIKey RZQYDEIRHXMEIM-LGJCEAAXSA-N
Mol Weight 315.8 g/mol
Molecular Formula C18H18ClNO2
Exact Mass 315.102607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8UKFpffh54i
Name (2R,3R)-1-(4-chlorophenyl)-3-(4-methylphenyl)-2-aziridinecarboxylic acid ethyl ester
Alternate Name(s) (2R,3R)-1-(4-chlorophenyl)-3-(p-tolyl)ethylenimine-2-carboxylic acid ethyl ester ethyl (2R,3R)-1-(4-chlorophenyl)-3-(4-methylphenyl)aziridine-2-carboxylate ethyl (2R,3R)-1-(4-chlorophenyl)-3-(p-tolyl)aziridine-2-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C18H18ClNO2
InChI InChI=1S/C18H18ClNO2/c1-3-22-18(21)17-16(13-6-4-12(2)5-7-13)20(17)15-10-8-14(19)9-11-15/h4-11,16-17H,3H2,1-2H3/t16-,17-,20?/m1/s1
InChIKey RZQYDEIRHXMEIM-LGJCEAAXSA-N
Molecular Weight 315.800 g/mol
SMILES [C@@]1(N([C@@]1(c1ccc(cc1)C)[H])c1ccc(cc1)Cl)(C(=O)OCC)[H]
SPLASH splash10-001i-0090000000-12e96ce23971965fd41c
Source of Spectrum F-55-12935-2
Wiley ID 839773