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3-Methyl-3-nitro-1-phenyl-but-1-yne
SpectraBase Compound ID IEcU9DV6U8B
InChI InChI=1S/C11H11NO2/c1-11(2,12(13)14)9-8-10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKey ZUYYRRKZJUNMSM-UHFFFAOYSA-N
Mol Weight 189.21 g/mol
Molecular Formula C11H11NO2
Exact Mass 189.078979 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID zRoIktJpua
Name 3-Methyl-3-nitro-1-phenyl-but-1-yne
CAS Registry Number 109059-19-0
Comments VARIAN XL 100 OR BRUKER MW 400 SPECTROMETER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H11NO2
InChI InChI=1S/C11H11NO2/c1-11(2,12(13)14)9-8-10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKey ZUYYRRKZJUNMSM-UHFFFAOYSA-N
Instrument Name see comment
Literature Reference M.G. Moloney, J.T. Pinhey, E.G.Roche, J. Chem. Soc. Perkin I 333 (1989).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3