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Nicotinic acid-D1-.alpha.,.alpha.'-D2
SpectraBase Compound ID JK0GLZuTMTc
InChI InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)/i3D,4D/hD
InChIKey PVNIIMVLHYAWGP-CJMWFYQISA-N
Mol Weight 126.13 g/mol
Molecular Formula C6H2D3NO2
Exact Mass 126.050859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GzMviplwA4A
Name Nicotinic acid-D1-.alpha.,.alpha.'-D2
CAS Registry Number 55090-47-6
Comments Less than 3 mono-isotopic peaks
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Formula C6H2D3NO2
InChI InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)/i3D,4D/hD
InChIKey PVNIIMVLHYAWGP-CJMWFYQISA-N
Molecular Weight 126.129 g/mol
SMILES C(c1c(nc(cc1)[D])[D])(=O)O[D]
SPLASH splash10-056r-0900000000-cfb82ba992db7d35997f
Source of Spectrum O-5-740-6
Synonyms 2,6-Dideuterio pyridine-3-carboxylic acid-d1
Wiley ID 4311