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Spectral Data   Additional Data   Download  
Molecule
10016773
Chemical name(s)pentane-2,4-dione
Chemical formulaC5H8O2
Molecular weight100.116
Number of double bond equivalents (DBEs)2.0
Number of all rings, size of smallest set of smallest rings0, 0
Canonical name(s)
CAS-Number
Additional information NCI Database; ChEBI;
Links from Unichem: ChEMBL;PDBe (Protein Data Bank Europe);KEGG (Kyoto Encyclopedia of Genes and Genomes) Ligand;ChEBI (Chemical Entities of Biological Interest).;ZINC;eMolecules;IBM strategic IP insight platform and the... (truncated)
Molecule keywords
DOI
13C Spectrum
10038865 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 comments1184.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 Q 30.9 28.5
2 S 203.5 201.1
4 T 58.7 56.6
5 S 203.5 201.1
7 Q 30.9 28.5

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