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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: ChEMBL;KEGG (Kyoto Encyclopedia of Genes and Genomes) Ligand;ChEBI (Chemical Entities of Biological Interest).;ZINC;eMolecules;IBM strategic IP insight platform and the National Institutes of Health;F... (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
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





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


 
     


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