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Spectral Data   Additional Data   Download  
Molecule
30000829
Chemical name(s)CFCl3
Chemical formulaCCl3F
Molecular weight137.368
Number of double bond equivalents (DBEs)0.0
Number of all rings, size of smallest set of smallest rings0, 0
Canonical name(s)
  • FC(Cl)(Cl)Cl (SMILES)
  • InChI=1S/CCl3F/c2-1(3,4)5 (INChI)
  • CYRMSUTZVYGINF-UHFFFAOYSA-N (InChI Key)
  • InChI=1/CCl3F/c2-1(3,4)5 (InChI with fixed H layer)
CAS-Number
Additional information wikidata; ChEBI;
Links from Unichem: ZINC;rxnorm;EPA (Environmental Protection Agency) CompTox Dashboard;Mcule;Nikkaji;SureChEMBL;Human Metabolome Database (HMDB);PubChem Compounds;Gene Expression Atlas;PubChem ('Thomson Pharma' subset);... (truncated)
Molecule keywords
DOI
19F Spectrum
30001088 Rating: 10
Type19F
Measurement conditions
Temperature [K]Unreported
SolventUnreported
Field Strength [MHz]Unreported
Assignment MethodUnreported
Literature
Additional commentsRelative to neat CFCl3.
Additional information http://nmr.chem.indiana.edu/NMRguide/misc/19Fshifts.html
Spectrum categories



Spectral Data   Additional Data   Download  
Type: 13C Double click to get resizeable window!
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1 S 117.19 -1.0

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Spectral Data   Additional Data   Download  
Type: 13C Double click to get resizeable window!
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 S 117.19

Double click upper part to get resizeable window!




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