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Spectral Data   Additional Data   Download  
Molecule
10016181
Chemical name(s)pyrrolidine-2,5-dione
Chemical formulaC4H5NO2
Molecular weight99.088
Number of double bond equivalents (DBEs)3.0
Number of all rings, size of smallest set of smallest rings1, 1
Canonical name(s)
CAS-Number 123-56-8
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;F... (truncated)
Molecule keywords
DOI
13C Spectrum
10038161 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 comments469.MOL; Multiplicities generated automatically from H count
Additional information
Spectrum categories



Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
expt-0
2 S 179.2 179.0
3 T 29.4 30.0
4 T 29.4 30.0
5 S 179.2 179.0






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