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Spectral Data   Additional Data   Download  
Molecule
10018151
Chemical name(s)4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol
Chemical formulaC8H11NO3
Molecular weight169.178
Number of double bond equivalents (DBEs)4.0
Number of all rings, size of smallest set of smallest rings1, 1
Canonical name(s)
CAS-Number 58-56-0
Additional information NCI Database; ChEBI;
Links from Unichem: ChEMBL;DrugBank;PDBe (Protein Data Bank Europe);KEGG (Kyoto Encyclopedia of Genes and Genomes) Ligand;ChEBI (Chemical Entities of Biological Interest).;ZINC;eMolecules;IBM strategic IP insight platfor... (truncated)
Molecule keywords
DOI
13C Spectrum
10043205 Rating: 10
Type13C
Measurement conditions
Temperature [K]Unreported
SolventUnreported
Field Strength [MHz]Unreported
Assignment MethodUnreported
Literature
Additional comments643.MOL.2; Multiplicities generated automatically from H count
Additional information
Spectrum categoriesocmainz inhouse-2



Spectral Data   Additional Data   Download  
Type: 1H Unreported
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
5-H 8.122
7-H 2.617
8-H 6.00 (H 9)
10-H 4.794
11-H 6.00 (H 12)
13-H 4.723
14-H 6.00 (H 15)






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