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1-Benzoyl-4,4-dideuterio-tetrahydropyridine
SpectraBase Compound ID CxrAdoeyhXO
InChI InChI=1S/C12H13NO/c14-12(11-7-3-1-4-8-11)13-9-5-2-6-10-13/h1,3-5,7-9H,2,6,10H2/i2D2
InChIKey BECCUPAXNMKZJU-CBTSVUPCSA-N
Mol Weight 189.25 g/mol
Molecular Formula C12H11D2NO
Exact Mass 189.112268 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Xey1MN4XLY
Name 1-Benzoyl-4,4-dideuterio-tetrahydropyridine
CAS Registry Number 94474-79-0
Comments MAJOR ISOMER, C3 SHIFT FROM NON-DEUTERIATED ANALOGUE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H11D2NO
InChI InChI=1S/C12H13NO/c14-12(11-7-3-1-4-8-11)13-9-5-2-6-10-13/h1,3-5,7-9H,2,6,10H2/i2D2
InChIKey BECCUPAXNMKZJU-CBTSVUPCSA-N
Instrument Name Bruker HX-60
Literature Reference B.M. Pinto, W.A. Szarek, T.B. Grindley, Org. Magn. Resonance 22, 676 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3