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1-Cyanomethyl-adamantane
SpectraBase Compound ID Dlh6MEjvwzn
InChI InChI=1S/C12H17N/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,1,3-8H2
InChIKey DXQVPXCZIRQITG-UHFFFAOYSA-N
Mol Weight 175.27 g/mol
Molecular Formula C12H17N
Exact Mass 175.1361 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BHY6kAp99DD
Name 1-Cyanomethyl-adamantane
CAS Registry Number 16269-13-9
Comments C11 LABELED WITH 13-C
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H17N
InChI InChI=1S/C12H17N/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,1,3-8H2
InChIKey DXQVPXCZIRQITG-UHFFFAOYSA-N
Instrument Name Bruker WH-90
Literature Reference S.R. Walter, J.L. Marshall, C.R. McDaniel, J. Am. Chem. Soc. 105, 4185 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3