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This molecule with some stereoconfiguration:


Spectral Data   Additional Data   Download  
Molecule
10022010
Chemical name(s)benzoic acid
Chemical formulaC7H6O2
Molecular weight122.121
Number of double bond equivalents (DBEs)5.0
Number of all rings, size of smallest set of smallest rings1, 1
Canonical name(s)
CAS-Number 65-85-0
Additional information NCI Database; ChEBI;
Links from Unichem: ChEMBL;DrugBank;PDBe (Protein Data Bank Europe);KEGG (Kyoto Encyclopedia of Genes and Genomes) Ligand;KEGG (Kyoto Encyclopedia of Genes and Genomes) Ligand;ChEBI (Chemical Entities of Biological Inter... (truncated)
Molecule keywords
DOI
13C Spectrum
10060301 Rating: 10
Type13C
Measurement conditions
Temperature [K]Unreported
SolventUnreported
Field Strength [MHz]Unreported
Assignment MethodUnreported
Literature
Additional comments496.MOL.3; Multiplicities generated automatically from H count
Additional information
Spectrum categoriesocmainz inhouse database




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