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Spectral Data   Additional Data   Download  
Molecule
60005331
Chemical name(s)1-methoxy-4-(2,2,2-trifluoroethoxy)benzene; 62158-88-7
Chemical formulaC9H9O2F3
Molecular weight206.162
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 62158-88-7
Additional information
Links from Unichem: IBM strategic IP insight platform and the National Institutes of Health;SureChEMBL;PubChem Compounds;Mcule;Nikkaji;EPA (Environmental Protection Agency) CompTox Dashboard
Molecule keywords
DOI
13C Spectrum
60006176 Rating: 9 (9: 9: nmrshiftdb2 quality check: accept/reliability: good (admin))
Type13C
Measurement conditions
Temperature [K]Unknown
SolventChloroform-D1 (CDCl3)
Field Strength [MHz]75.0
Assignment Method1D shift positions
Literature Stefano Protti; Maurizio Fagnoni; Mariella Mella; Angelo Albini: Aryl Cations from Aromatic Halides. Photogeneration and Reactivity of 4-Hydroxy(methoxy)phenyl Cation, in: Journal of Organic Chemistry, vol. 69/2004, pp. 3465 - 3473 (DOI: org/10.1021/jo049770+)
Additional comments151.5 and 155 may be reversed /D3-20370
nmrshiftdb2 quality report Download
Additional information
Spectrum categoriesocmainz inhouse-2




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