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(2R,3S/R)-2-(4-Chlorophenyl)-3-ethylcyclopropane-1,1,2-tricarbonitrile
SpectraBase Compound ID CPlKZgF99b
InChI InChI=1S/C14H10ClN3/c1-2-12-13(7-16,8-17)14(12,9-18)10-3-5-11(15)6-4-10/h3-6,12H,2H2,1H3/t12-,14-/m1/s1
InChIKey DERKVOZMAVOOQX-TZMCWYRMSA-N
Mol Weight 255.71 g/mol
Molecular Formula C14H10ClN3
Exact Mass 255.056325 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cau9bZixVOO
Name (2R,3S/R)-2-(4-Chlorophenyl)-3-ethylcyclopropane-1,1,2-tricarbonitrile
Alternate Name(s) (2R,3S)-2-(4-chlorophenyl)-3-ethylcyclopropane-1,1,2-tricarbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C14H10ClN3
InChI InChI=1S/C14H10ClN3/c1-2-12-13(7-16,8-17)14(12,9-18)10-3-5-11(15)6-4-10/h3-6,12H,2H2,1H3/t12-,14-/m1/s1
InChIKey DERKVOZMAVOOQX-TZMCWYRMSA-N
Molecular Weight 255.708 g/mol
SMILES C1([C@](C#N)(c2ccc(cc2)Cl)[C@@]1(CC)[H])(C#N)C#N
SPLASH splash10-004i-0090000000-cb28b78fe1ce3ea89ea7
Source of Spectrum U1-2010-1983-3k
Wiley ID 1663532