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Spectral Data   Additional Data   Download  
Molecule
10008684
Chemical name(s)N,N-DIMETHYL-ANILINE
Chemical formulaC8H11N
Molecular weight121.18
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 121-69-7
Additional information NCI Database; ChEBI;
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;I... (truncated)
Molecule keywords
13C Spectrum
60001531 Rating: 10 (10: 10: nmrshiftdb2 quality check: accept (admin))
Type13C
Measurement conditions
Temperature [K]295
SolventToluol-d8
Field Strength [MHz]75.03250122070312
Assignment Method1D shift positions
Literature
Additional commentschemical shift reference: tetramethylsilane; chemical shift calibration: solvent-CD3 20.4 ppm
nmrshiftdb2 quality report Download
Additional information
Spectrum categories



Spectral Data   Additional Data   Download  
Type: 1H 300.1300048828125
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
Intensity
2-H 6.56 0.333333
3-H 7.18 0.333333
4-H 6.73 0.166667
5-H 7.18 0.333333
6-H 6.56 0.333333
7-H 2.52 1.0
8-H 2.52 1.0





Spectral Data   Additional Data   Download  
Type: 15N 30.01300048828125
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
9 S -337.7





Spectral Data   Additional Data   Download  
Type: 13C 23
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
Intensity
expt-0
ocmainz inhouse-2
expt-1
1 S 150.7 0.144 150.6150.93
2 D 112.7 0.953 112.6112.95
3 D 129.0 1.0 129.0129.25
4 D 116.7 0.465 116.6116.98
5 D 129.0 1.0 129.0129.25
6 D 112.7 0.953 112.6112.95
7 Q 40.3 0.798 40.640.13
8 Q 40.3 0.798 40.640.13





Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
expt-0
dkfz spektren database
expt-1
1 S 150.6 150.7150.93
2 D 112.6 112.7112.95
3 D 129.0 129.0129.25
4 D 116.6 116.7116.98
5 D 129.0 129.0129.25
6 D 112.6 112.7112.95
7 Q 40.6 40.340.13
8 Q 40.6 40.340.13






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