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This molecule with some stereoconfiguration:


General   ocmainz inhouse-2  
Spectral Data   Additional Data   Download  
Molecule
10008793
Chemical name(s)BENZOIC ACID,2-HYDROXY SALICYLIC ACID
Chemical formulaC7H6O3
Molecular weight138.121
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 69-72-7
Additional information NCI Database; ChEBI;
Links from Unichem: KEGG (Kyoto Encyclopedia of Genes and Genomes) Ligand;eMolecules;Brenda;Brenda;Brenda;Brenda;Brenda;Brenda;Brenda;Brenda;Library of Integrated Network-based Cellular Signatures;Nikkaji;MolPort;DrugBan... (truncated)
Molecule keywords
DOI
13C Spectrum
10014267 Rating: 10
Type13C
Measurement conditions
Temperature [K]298
SolventDimethylsulphoxide-D6 (DMSO-D6, C2D6SO)
Field Strength [MHz]Unreported
Literature
Additional commentsDKFZ 'spektren' database: TMS/; No temperature information available, assumed 298 K.; Multiplicities generated automatically from H count
Additional information
Spectrum categoriesdkfz spektren database




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