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Details
Spectral Data
Additional Data
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Molecule
10016666
Chemical name(s)
Dimehtylether
Chemical formula
C
2
H
6
O
Molecular weight
46.0684
Number of double bond equivalents (DBEs)
0.0
Number of all rings, size of smallest set of smallest rings
0, 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:
Nikkaji;rxnorm;Mcule;Nikkaji;PDBe (Protein Data Bank Europe);SureChEMBL;KEGG (Kyoto Encyclopedia of Genes and Genomes) Ligand;ChEBI (Chemical Entities of Biological Interest).;ChEMBL;eMolecules;PubChe... (truncated)
Molecule keywords
DOI
10.18716/nmrshiftdb2/10016666
13C Spectrum
10038735 Rating: 10
Type
13C
Measurement conditions
Temperature [K]
Unreported
Solvent
Unreported
Field Strength [MHz]
Unreported
Assignment Method
Unreported
Literature
Stefan Berger; S. Braun; H.-O. Kalinowski: 13-C-NMR-Spektroskopie, New York: Thieme Verlag 1984.
Additional comments
1052.MOL; Multiplicities generated automatically from H count
Additional information
Spectrum categories
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
1
Q
60.0
61.2
3
Q
60.0
61.2
Report incorrect data
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