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Isonicotinic acid-D1-beta..beta.-D2
SpectraBase Compound ID 1WDXDN1UzJ2
InChI InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)/i1D,2D/hD
InChIKey TWBYWOBDOCUKOW-ILCKQIEWSA-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 KD4n8w1c6Hj
Name Isonicotinic acid-D1-beta..beta.-D2
CAS Registry Number 55090-50-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H2D3NO2
InChI InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)/i1D,2D/hD
InChIKey TWBYWOBDOCUKOW-ILCKQIEWSA-N
Molecular Weight 126.129 g/mol
SMILES C(=O)(c1c(cncc1[D])[D])O[D]
SPLASH splash10-0fb9-9800000000-f211cd760ec02489e7c4
Source of Spectrum OS-5-277-0
Synonyms 3,5-Dideutero pyridine-4-carboxylic acid-D1 Isonicotinic acid-D1-.beta.-D2
Wiley ID 81059