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(2R,3R)-3-(4-chlorophenyl)-1-phenyl-2-aziridinecarboxylic acid ethyl ester
SpectraBase Compound ID 61TYg6XatDb
InChI InChI=1S/C17H16ClNO2/c1-2-21-17(20)16-15(12-8-10-13(18)11-9-12)19(16)14-6-4-3-5-7-14/h3-11,15-16H,2H2,1H3/t15-,16-,19?/m1/s1
InChIKey MZVDJTDGXJNZLK-QNRNLVPOSA-N
Mol Weight 301.77 g/mol
Molecular Formula C17H16ClNO2
Exact Mass 301.086956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5YzB2JqOIuW
Name (2R,3R)-3-(4-chlorophenyl)-1-phenyl-2-aziridinecarboxylic acid ethyl ester
Alternate Name(s) (2R,3R)-3-(4-chlorophenyl)-1-phenyl-ethylenimine-2-carboxylic acid ethyl ester ethyl (2R,3R)-3-(4-chlorophenyl)-1-phenyl-aziridine-2-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C17H16ClNO2
InChI InChI=1S/C17H16ClNO2/c1-2-21-17(20)16-15(12-8-10-13(18)11-9-12)19(16)14-6-4-3-5-7-14/h3-11,15-16H,2H2,1H3/t15-,16-,19?/m1/s1
InChIKey MZVDJTDGXJNZLK-QNRNLVPOSA-N
Molecular Weight 301.773 g/mol
SMILES [C@@]1(N([C@@]1(c1ccc(cc1)Cl)[H])c1ccccc1)(C(=O)OCC)[H]
SPLASH splash10-000i-0901000000-3f7869b5eca7d266e2b3
Source of Spectrum F-55-12935-2
Wiley ID 839775