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(2S,3R)-1-(4-chlorobenzyl)-2-methyl-3-phenyl-ethylenimine
SpectraBase Compound ID IpbO56qyhj9
InChI InChI=1S/C16H16ClN/c1-12-16(14-5-3-2-4-6-14)18(12)11-13-7-9-15(17)10-8-13/h2-10,12,16H,11H2,1H3/t12-,16-,18?/m0/s1
InChIKey UJHDQYMRYKBGCP-GMUMSBIHSA-N
Mol Weight 257.76 g/mol
Molecular Formula C16H16ClN
Exact Mass 257.097127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DQkZYdKgnBF
Name (2S,3R)-1-(4-chlorobenzyl)-2-methyl-3-phenyl-ethylenimine
Alternate Name(s) (2S,3R)-1-[(4-chlorophenyl)methyl]-2-methyl-3-phenyl-aziridine
Comments Less than 3 mono-isotopic peaks
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Formula C16H16ClN
InChI InChI=1S/C16H16ClN/c1-12-16(14-5-3-2-4-6-14)18(12)11-13-7-9-15(17)10-8-13/h2-10,12,16H,11H2,1H3/t12-,16-,18?/m0/s1
InChIKey UJHDQYMRYKBGCP-GMUMSBIHSA-N
Molecular Weight 257.764 g/mol
SMILES [C@@]1(N([C@@]1(c1ccccc1)[H])Cc1ccc(cc1)Cl)(C)[H]
SPLASH splash10-001i-0900000000-4c01e9badb25a48e8fbc
Source of Spectrum F-56-7302-4
Wiley ID 858427