For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4G7mQ6zC2kz
Name D4-pyridine-4-carboxylic acid
CAS Registry Number 53907-55-4
Comments Less than 3 mono-isotopic peaks
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-0900000000-a127bcfc7766401e9b9d
Source of Spectrum O-5-736-7
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 4313