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Isonicotinic acid-alpha.alpha.-D2
SpectraBase Compound ID 8sjtwbCSNxl
InChI InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)/i3D,4D
InChIKey TWBYWOBDOCUKOW-NMQOAUCRSA-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 FtlDOPlvKjd
Name Isonicotinic acid-alpha.alpha.-D2
CAS Registry Number 55090-49-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H3D2NO2
InChI InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)/i3D,4D
InChIKey TWBYWOBDOCUKOW-NMQOAUCRSA-N
Molecular Weight 125.123 g/mol
SMILES OC(=O)c1cc([D])nc(c1)[D]
SPLASH splash10-0fb9-9600000000-b57985f67fdd6f8a2f6a
Source of Spectrum OS-5-274-0
Synonyms 2,6-Dideutero pyridine-4-carboxylic acid Isonicotinic acid-.alpha.-D2
Wiley ID 81056