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Spectral Data   Additional Data   Download  
Molecule
20028917
Chemical name(s)Chloromethane
Chemical formulaCH3Cl
Molecular weight50.4875
Number of double bond equivalents (DBEs)0.0
Number of all rings, size of smallest set of smallest rings0, 0
Canonical name(s)
  • CCl (SMILES)
  • chloromethane (IUPAC from ACD/Name)
  • methane, chloro- (Index from ACD/Name)
  • InChI=1S/CH3Cl/c1-2/h1H3 (INChI)
  • NEHMKBQYUWJMIP-UHFFFAOYSA-N (InChI Key)
  • InChI=1/CH3Cl/c1-2/h1H3 (InChI with fixed H layer)
CAS-Number 74-87-3
Additional information ChEBI;
Links from Unichem: ChEMBL;PDBe (Protein Data Bank Europe);KEGG (Kyoto Encyclopedia of Genes and Genomes) Ligand;ChEBI (Chemical Entities of Biological Interest).;eMolecules;FDA/USP Substance Registration System (SRS);Su... (truncated)
Molecule keywords
DOI
1H Spectrum
20168808 Rating: 10
Type1H
Measurement conditions
Temperature [K]Unreported
SolventUnreported
Field Strength [MHz]Unreported
Assignment MethodUnreported
Literature
Additional comments
Additional information http://www.usm.maine.edu/~newton/Chy251_253/Lectures/Polarity/NMR1.html
Spectrum categories



Spectral Data   Additional Data   Download  
Type: 13C
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
1 Q 25.54






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