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Spectral Data   Additional Data   Download  
Molecule
20040435
Chemical name(s)2,6-di(propan-2-yl)phenol
Chemical formulaC12H18O
Molecular weight178.271
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 2078-54-8
Additional information NCI Database; ChEBI;
Links from Unichem: NIH Clinical Collection;PubChem Compounds;DrugCentral;ChemicalBook;PDBe (Protein Data Bank Europe);ChEBI (Chemical Entities of Biological Interest).;Brenda;PubChem ('Drugs of the Future' subse... (truncated)
Molecule keywords
DOI
13C Spectrum
20088905 Rating: 10
Type13C
Measurement conditions
Temperature [K]Unreported
SolventUnreported
Field Strength [MHz]Unreported
Assignment MethodUnreported
Literature
Additional comments7346.MOL.2; Multiplicities generated automatically from H count
Additional information
Spectrum categoriesocmainz inhouse-2




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