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1-(4-Methoxy-phenyl)-3-methyl-3-nitro-but-1-yne
SpectraBase Compound ID DBeQQi8uQIG
InChI InChI=1S/C12H13NO3/c1-12(2,13(14)15)9-8-10-4-6-11(16-3)7-5-10/h4-7H,1-3H3
InChIKey KSHCHUUTVREWPM-UHFFFAOYSA-N
Mol Weight 219.24 g/mol
Molecular Formula C12H13NO3
Exact Mass 219.089543 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2cS9et8T4qn
Name 1-(4-Methoxy-phenyl)-3-methyl-3-nitro-but-1-yne
CAS Registry Number 121721-31-1
Comments VARIAN XL 100 OR BRUKER MW 400 SPECTROMETER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H13NO3
InChI InChI=1S/C12H13NO3/c1-12(2,13(14)15)9-8-10-4-6-11(16-3)7-5-10/h4-7H,1-3H3
InChIKey KSHCHUUTVREWPM-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