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3,3,4,4-Tetracyano-7,8,9-trimethyl-9-(1-trichloroacetoxy-ethyl)-bicyclo(4.3.0)nona-1(6),7-diene
SpectraBase Compound ID 3p8uLgJjYGz
InChI InChI=1S/C20H17Cl3N4O2/c1-11-12(2)17(4,13(3)29-16(28)20(21,22)23)15-6-19(9-26,10-27)18(7-24,8-25)5-14(11)15/h13H,5-6H2,1-4H3
InChIKey ZDBBOIKYKGXJTI-UHFFFAOYSA-N
Mol Weight 451.74 g/mol
Molecular Formula C20H17Cl3N4O2
Exact Mass 450.041709 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J49hAkB7wIZ
Name 3,3,4,4-Tetracyano-7,8,9-trimethyl-9-(1-trichloroacetoxy-ethyl)-bicyclo(4.3.0)nona-1(6),7-diene
CAS Registry Number 64686-23-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H17Cl3N4O2
InChI InChI=1S/C20H17Cl3N4O2/c1-11-12(2)17(4,13(3)29-16(28)20(21,22)23)15-6-19(9-26,10-27)18(7-24,8-25)5-14(11)15/h13H,5-6H2,1-4H3
InChIKey ZDBBOIKYKGXJTI-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference H. Hogeveen, W.F. Huurdeman, J. Am. Chem. Soc. 100, 860 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3