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trans-1-Benzyl-2-(4-chlorophenyl)-3-cyanoazetidine
SpectraBase Compound ID Kgig19g2gi8
InChI InChI=1S/C17H15ClN2/c18-16-8-6-14(7-9-16)17-15(10-19)12-20(17)11-13-4-2-1-3-5-13/h1-9,15,17H,11-12H2/t15-,17+/m0/s1
InChIKey OBYKKAJIEZNDQY-DOTOQJQBSA-N
Mol Weight 282.77 g/mol
Molecular Formula C17H15ClN2
Exact Mass 282.092376 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AsZ6LN6u2TU
Name trans-1-Benzyl-2-(4-chlorophenyl)-3-cyanoazetidine
Alternate Name(s) (2S,3S)-1-benzyl-2-(4-chlorophenyl)-3-azetidinecarbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C17H15ClN2
InChI InChI=1S/C17H15ClN2/c18-16-8-6-14(7-9-16)17-15(10-19)12-20(17)11-13-4-2-1-3-5-13/h1-9,15,17H,11-12H2/t15-,17+/m0/s1
InChIKey OBYKKAJIEZNDQY-DOTOQJQBSA-N
Molecular Weight 282.774 g/mol
SMILES [C@]1(N(C[C@@]1(C#N)[H])Cc1ccccc1)(c1ccc(cc1)Cl)[H]
SPLASH splash10-00di-3900000000-41e29ab21b2e20eb6fe8
Source of Spectrum F-62-6889-9
Wiley ID 1639767