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D4-pyridine-4-carboxylic acid
SpectraBase Compound ID 97OuSYyW7pJ
InChI InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)/i1D,2D,3D,4D
InChIKey TWBYWOBDOCUKOW-RHQRLBAQSA-N
Mol Weight 127.14 g/mol
Molecular Formula C6HD4NO2
Exact Mass 127.057135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EL7kuufDwf9
Name D4-Pyridine-4-carboxylic acid
CAS Registry Number 53907-55-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6HD4NO2
InChI InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)/i1D,2D,3D,4D
InChIKey TWBYWOBDOCUKOW-RHQRLBAQSA-N
Molecular Weight 127.135 g/mol
SMILES OC(=O)c1c(c([D])nc(c1[D])[D])[D]
SPLASH splash10-004i-9500000000-b6dab9c735444c1347ee
Source of Spectrum OS-5-278-0
Synonyms 2,3,5,6-Tetradeuterio pyridine-4-carboxylic acid Isonicotinic acid-.alpha.,.beta.-D4 2,3,5,6-Tetradeuterio-4-pyridinecarboxylic acid 2,3,5,6-Tetradeuteriopyridine-4-carboxylic acid
Wiley ID 81061