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Spectral Data   Additional Data   Download  
Molecule
10016666
Chemical name(s)Dimehtylether
Chemical formulaC2H6O
Molecular weight46.0684
Number of double bond equivalents (DBEs)0.0
Number of all rings, size of smallest set of smallest rings0, 0
Canonical name(s)
  • O(C)C (SMILES)
  • dimethyl ether (IUPAC from ACD/Name)
  • methane, oxybis- (Index from ACD/Name)
  • InChI=1S/C2H6O/c1-3-2/h1-2H3 (INChI)
  • LCGLNKUTAGEVQW-UHFFFAOYSA-N (InChI Key)
  • InChI=1/C2H6O/c1-3-2/h1-2H3 (InChI with fixed H layer)
CAS-Number
Additional information ChEBI;
Links from Unichem: ChEMBL;PDBe (Protein Data Bank Europe);KEGG (Kyoto Encyclopedia of Genes and Genomes) Ligand;ChEBI (Chemical Entities of Biological Interest).;eMolecules;FDA/USP Substance Registration System (SRS);Su... (truncated)
Molecule keywords
DOI
13C Spectrum
10038735 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 comments1052.MOL; Multiplicities generated automatically from H count
Additional information
Spectrum categories



Spectral Data   Additional Data   Download  
Type: 13C
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
expt-0
1 Q 60.0 61.2
3 Q 60.0 61.2






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