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4,4-Dicyano-5-phenyl-1-cyclopenten-3-one propane-1,3-diyl ketal

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4,4-Dicyano-5-phenyl-1-cyclopenten-3-one propane-1,3-diyl ketal
SpectraBase Compound ID C1tH7l2pL3t
InChI InChI=1S/C16H14N2O2/c17-11-15(12-18)14(13-5-2-1-3-6-13)7-8-16(15)19-9-4-10-20-16/h1-3,5-8,14H,4,9-10H2
InChIKey PICWVYBQSYUNDQ-UHFFFAOYSA-N
Mol Weight 266.3 g/mol
Molecular Formula C16H14N2O2
Exact Mass 266.105528 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BEGQ9DressD
Name 4,4-Dicyano-5-phenyl-1-cyclopenten-3-one propane-1,3-diyl ketal
CAS Registry Number 88442-12-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H14N2O2
InChI InChI=1S/C16H14N2O2/c17-11-15(12-18)14(13-5-2-1-3-6-13)7-8-16(15)19-9-4-10-20-16/h1-3,5-8,14H,4,9-10H2
InChIKey PICWVYBQSYUNDQ-UHFFFAOYSA-N
Instrument Name Varian FT-80
Literature Reference D.L. Boger, C.E. Brotherton, J. Am. Chem. Soc. 108, 6695 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3