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4-(4-Propylcyclohexyl)benzonitrile

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4-(4-Propylcyclohexyl)benzonitrile
SpectraBase Compound ID CY8ROLKcARM
InChI InChI=1S/C16H21N/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h6-7,10-11,13,15H,2-5,8-9H2,1H3
InChIKey XXUSEPRYHRDKFV-UHFFFAOYSA-N
Mol Weight 227.35 g/mol
Molecular Formula C16H21N
Exact Mass 227.1674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6DpUupQTrbI
Name 4-(trans-4-Propyl-cyclohexyl)-benzonitrile
CAS Registry Number 61203-99-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H21N
InChI InChI=1S/C16H21N/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h6-7,10-11,13,15H,2-5,8-9H2,1H3
InChIKey XXUSEPRYHRDKFV-UHFFFAOYSA-N
Instrument Name Varian XL-300
Literature Reference C.B. Frech, B.M. Fung, M. Schadt, Magn. Res. Chem. 26, 433 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3