John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=C25hKitqpfV SpectraBase Spectrum ID=2aS6203NAZH

(accessed ).
1'-demethylnicotine-2,4,5,6-d4
SpectraBase Compound ID C25hKitqpfV
InChI InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2/t9-/m1/s1/i1D,3D,5D,7D
InChIKey MYKUKUCHPMASKF-AIGLVOJCSA-N
Mol Weight 152.23 g/mol
Molecular Formula C9H8D4N2
Exact Mass 152.125155 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 2aS6203NAZH
Name 1'-DEMETHYLNICOTINE-2,4,5,6-d4
Source of Sample J. W. Munson, University of Kentucky, Lexington, Kentucky
Boiling Point 131-136C/12mm
Copyright Copyright © 1980, 1981-2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8D4N2
InChI InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2/t9-/m1/s1/i1D,3D,5D,7D
InChIKey MYKUKUCHPMASKF-AIGLVOJCSA-N
Literature Reference J. LABEL. CMPD. RADIOPHARM. 13, 461(1977) Abstract-Chemical Abstracts= 88, 152826(1978)
Molecular Weight 152.240997
SpectraBase Batch ID 8fJVIyNcakM
Synonyms NICOTINE-2,4,5,6-D4, 1*-DEMETHYL-, PYRIDINE-2,4,5,6-D4, 3-/2-PYRROL- IDINYL/-, NORNICOTINE-2,4,5,6-D4
Technique CAPILLARY CELL: NEAT