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1,2-trans-bis(p-chlorophenyl)-4-oxocyclopentanecarbonitrile

View entire compound with spectra: 2 NMR, and 2 FTIR

1,2-trans-bis(p-chlorophenyl)-4-oxocyclopentanecarbonitrile
SpectraBase Compound ID 22ddJUmsczG
InChI InChI=1S/C18H13Cl2NO/c19-14-5-1-12(2-6-14)17-9-16(22)10-18(17,11-21)13-3-7-15(20)8-4-13/h1-8,17H,9-10H2/t17-,18+/s2
InChIKey YQXLLWWETNJXCB-ZVOYONDMSA-N
Mol Weight 330.21 g/mol
Molecular Formula C18H13Cl2NO
Exact Mass 329.037419 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 70Z3jfzUXD3
Name 1,2-trans-BIS(p-CHLOROPHENYL)-4-OXOCYCLOPENTANECARBONITRILE
Source of Sample H. Stetter, Institute of Organic Chemistry, Aachen, Germany
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13Cl2NO
InChI InChI=1S/C18H13Cl2NO/c19-14-5-1-12(2-6-14)17-9-16(22)10-18(17,11-21)13-3-7-15(20)8-4-13/h1-8,17H,9-10H2/t17-,18+/s2
InChIKey YQXLLWWETNJXCB-ZVOYONDMSA-N
Melting Point 137.5-138C
Molecular Weight 330.22
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms CYCLOPENTANECARBONITRILE, 1,2-trans-BIS/P-CHLOROPHENYL/-4-OXO-,