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Isonicotinic acid-beta..beta.-D2
SpectraBase Compound ID KRJfjGgtjKG
InChI InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)/i1D,2D
InChIKey TWBYWOBDOCUKOW-QDNHWIQGSA-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 LdoPsNgniVr
Name Isonicotinic acid-beta..beta.-D2
CAS Registry Number 55090-51-2
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)/i1D,2D
InChIKey TWBYWOBDOCUKOW-QDNHWIQGSA-N
Molecular Weight 125.123 g/mol
SMILES OC(=O)c1c(cncc1[D])[D]
SPLASH splash10-0fb9-9600000000-16f905de65a5a90abb6d
Source of Spectrum OS-5-276-0
Synonyms 3,5-Dideutero pyridine-4-carboxylic acid Isonicotinic acid-.beta.-D2
Wiley ID 81057