Home
Current usage is:
Registered Users: 1345
Structures: 43476
Spectra: Measured 52201, 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
10005868
Chemical name(s)ALPHA,ALPHA-DICHLORO-TOLUENE
Chemical formulaC7H6Cl2
Molecular weight161.029
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 98-87-3
Additional information NCI Database;
Links from Unichem: KEGG (Kyoto Encyclopedia of Genes and Genomes) Ligand;PubChem Compounds;Mcule;MolPort;eMolecules;SureChEMBL;ChEMBL;FDA/USP Substance Registration System (SRS);Nikkaji;ChEBI (Chemical Entities of Biolo... (truncated)
Molecule keywords
DOI
13C Spectrum
10014222 Rating: 10
Type13C
Measurement conditions
Temperature [K]313
SolventBenzene-D6 (C6D6)
Field Strength [MHz]23
Literature
Additional commentsDKFZ 'spektren' database: BRUKER, 13C DATA BANK, VOL.1/; ; Multiplicities generated automatically from H count
Additional information
Spectrum categoriesdkfz spektren database



Spectral Data   Additional Data   Download  
Type: 13C Unreported Double click to get resizeable window!
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
expt-0
dkfz spektren database
1 S 140.3 140.4
2 D 126.1 126.1
3 D 128.6 128.6
4 D 129.8 129.7
5 D 128.6 128.6
6 D 126.1 126.1
7 D 71.8 71.9

Double click upper part to get resizeable window!



Spectral Data   Additional Data   Download  
Type: 1H Unreported Double click to get resizeable window!
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
2-H 7.560
3-H
4-H
5-H
6-H
7-H 6.695

Double click upper part to get resizeable window!




Report incorrect data
Copy molecule link
 
     


nmrshiftdb2 (V. 1.4.14, nmrshiftdb.nmr.uni-koeln.de, currently 12 users, 1915637 since 2010-12-14 23:09:00.0) © NMRShiftDB project 2002-2010, © Stefan Kuhn 2010 - 2019.