Home
Current usage is:
Registered Users: 1331
Structures: 43472
Spectra: Measured 52186, calculated 549
Username:

Logon with SSL
Password:
Use cookies for persistant login
ImpressumProblems using nmrshiftdb2? See our tips on browsers to use !

  Home     Search     Results     Quick Check     Predict     Assignment     Submit     Review     Help  
  Search Results  
  You did not do a search!  
     
  Bookmarks  
  You could bookmark structures if you were logged in!  
     
  Details  
 



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;Mcule;Brenda;Brenda;Brenda;Brenda;KEGG (Kyoto Encyclopedia of Genes and Genomes) Ligand;Nikkaji;Nikkaji;FDA/USP Substance Registration System (SRS);MolPort;SureChEMBL;Rhea;eMolecules;ACToR;ACTo... (truncated)
Molecule keywords
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






Report incorrect data
Copy molecule link
 
     


nmrshiftdb2 (V. 1.4.13 nmrshiftdb.nmr.uni-koeln.de, currently 13 users, 1890108 since 2010-12-14 23:09:00.0) © NMRShiftDB project 2002-2010, © Stefan Kuhn 2010 - 2017.