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(2R,3S)-2-(4-Chlorophenyl)-3-(4-methoxyphenyl)cyclopropane-1,1,2tricarbonitrile
SpectraBase Compound ID K2GLKb4owTr
InChI InChI=1S/C19H12ClN3O/c1-24-16-8-2-13(3-9-16)17-18(10-21,11-22)19(17,12-23)14-4-6-15(20)7-5-14/h2-9,17H,1H3/t17-,19-/m1/s1
InChIKey HGCAURJXXMNSSX-IEBWSBKVSA-N
Mol Weight 333.78 g/mol
Molecular Formula C19H12ClN3O
Exact Mass 333.06689 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FguBmqHh63D
Name (2R,3S)-2-(4-Chlorophenyl)-3-(4-methoxyphenyl)cyclopropane-1,1,2tricarbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C19H12ClN3O
InChI InChI=1S/C19H12ClN3O/c1-24-16-8-2-13(3-9-16)17-18(10-21,11-22)19(17,12-23)14-4-6-15(20)7-5-14/h2-9,17H,1H3/t17-,19-/m1/s1
InChIKey HGCAURJXXMNSSX-IEBWSBKVSA-N
Molecular Weight 333.778 g/mol
SMILES C1([C@](C#N)(c2ccc(cc2)Cl)[C@@]1(c1ccc(cc1)OC)[H])(C#N)C#N
SPLASH splash10-001i-0029000000-b5e7b7f4a2c971a85bd6
Source of Spectrum U1-2010-1983-3g
Wiley ID 1663540