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METHYL-TRICYANOETHENECARBOXYLATE
SpectraBase Compound ID BquRjYPuIVO
InChI InChI=1S/C7H3N3O2/c1-12-7(11)6(4-10)5(2-8)3-9/h1H3
InChIKey YXKNBAVLYLPADR-UHFFFAOYSA-N
Mol Weight 161.12 g/mol
Molecular Formula C7H3N3O2
Exact Mass 161.022526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2kG8suFYWND
Name 1,2,2-Tricyano-ethenecarboxylic acid, methyl ester
CAS Registry Number 101342-43-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H3N3O2
InChI InChI=1S/C7H3N3O2/c1-12-7(11)6(4-10)5(2-8)3-9/h1H3
InChIKey YXKNBAVLYLPADR-UHFFFAOYSA-N
Instrument Name Bruker WH-90
Literature Reference T. Gotoh, A.B. Padias, H.K.Hall, J. Am. Chem. Soc. 108, 4920 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3