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Nicotinic acid-D1-.alpha.-D1
SpectraBase Compound ID LbKiNnKapWi
InChI InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)/i4D/hD
InChIKey PVNIIMVLHYAWGP-CWOYJHTQSA-N
Mol Weight 125.12 g/mol
Molecular Formula C6H3D2NO2
Exact Mass 125.044582 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H5pkH6TqIyk
Name Nicotinic acid-D1-.alpha.-D1
CAS Registry Number 55090-46-5
Comments Less than 3 mono-isotopic peaks
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Formula C6H3D2NO2
InChI InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)/i4D/hD
InChIKey PVNIIMVLHYAWGP-CWOYJHTQSA-N
Molecular Weight 125.123 g/mol
SMILES C(c1c(nccc1)[D])(=O)O[D]
SPLASH splash10-056r-0900000000-9d340ce3a875e71bd08e
Source of Spectrum O-5-740-4
Synonyms 2-Deuterio pyridine-3-carboxylic acid-d1
Wiley ID 4310