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1,1-Dicyano-9b-methyl-isoindolino(2,1-C)D/2/-triazoline
SpectraBase Compound ID KzJNmN2yQXY
InChI InChI=1S/C12H9N5/c1-11-10-5-3-2-4-9(10)6-17(11)16-15-12(11,7-13)8-14/h2-5H,6H2,1H3
InChIKey UXEJYHBWFZJHPL-UHFFFAOYSA-N
Mol Weight 223.24 g/mol
Molecular Formula C12H9N5
Exact Mass 223.085795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3lo8e5HkJQv
Name 1,1-Dicyano-9b-methyl-isoindolino(2,1-C)D/2/-triazoline
CAS Registry Number 69540-45-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H9N5
InChI InChI=1S/C12H9N5/c1-11-10-5-3-2-4-9(10)6-17(11)16-15-12(11,7-13)8-14/h2-5H,6H2,1H3
InChIKey UXEJYHBWFZJHPL-UHFFFAOYSA-N
Instrument Name Jeol FX-60
Literature Reference P. Kolsaker, P.O. Ellingsen, G. Woien, Acta Chem. Scand. B32, 683 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3