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This molecule with some stereoconfiguration:


Spectral Data   Additional Data   Download  
Molecule
10016958
Chemical name(s)Isoleucine
Chemical formulaC6H13NO2
Molecular weight131.173
Number of double bond equivalents (DBEs)1.0
Number of all rings, size of smallest set of smallest rings0, 0
Canonical name(s)
CAS-Number 443-79-8
Additional information NCI Database; Deposition in PubChem; ChEBI;
Links from Unichem: ChEMBL;KEGG (Kyoto Encyclopedia of Genes and Genomes) Ligand;ChEBI (Chemical Entities of Biological Interest).;eMolecules;IBM strategic IP insight platform and the National Institutes of Health;SureCh... (truncated)
Molecule keywords
DOI
13C Spectrum
10039114 Rating: 10
Type13C
Measurement conditions
Temperature [K]Unreported
SolventUnreported
Field Strength [MHz]Unreported
Assignment MethodUnreported
Literature S. Berger; S. Braun; H.-O. Kalinowski: 13-C-NMR-Spektroskopie, New York: Thieme Verlag 1984.
Additional comments1433.MOL; Multiplicities generated automatically from H count
Additional information
Spectrum categories



Spectral Data   Additional Data   Download  
Type: 13C Unreported Double click to get resizeable window!
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
expt-0
1 S 174.47 175.0
2 D 59.92 60.9
3 D 36.10 37.1
4 T 24.76 25.6
5 Q 11.53 12.2
12 Q 14.93 15.9

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