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2-Cyano-2-methyl-2H-pyrrole-1-oxide
SpectraBase Compound ID FFnaegGJFtB
InChI InChI=1S/C6H6N2O/c1-6(5-7)3-2-4-8(6)9/h2-4H,1H3
InChIKey ATBHGARWDHRIBJ-UHFFFAOYSA-N
Mol Weight 122.13 g/mol
Molecular Formula C6H6N2O
Exact Mass 122.048013 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G7P1KbFcGLY
Name 2-Cyano-2-methyl-2H-pyrrole-1-oxide
CAS Registry Number 53669-63-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H6N2O
InChI InChI=1S/C6H6N2O/c1-6(5-7)3-2-4-8(6)9/h2-4H,1H3
InChIKey ATBHGARWDHRIBJ-UHFFFAOYSA-N
Instrument Name Varian HA-100
Literature Reference R.A. Abramovitch, B.W.Cue, J. Am. Chem. Soc. 98, 1478 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3