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Spectral Data   Additional Data   Download  
Molecule
10016667
Chemical name(s)methyl sulfide
Chemical formulaC2H6S
Molecular weight62.134
Number of double bond equivalents (DBEs)0.0
Number of all rings, size of smallest set of smallest rings0, 0
Canonical name(s)
  • S(C)C (SMILES)
  • dimethyl sulfide (IUPAC from ACD/Name)
  • methane, thiobis- (Index from ACD/Name)
  • InChI=1S/C2H6S/c1-3-2/h1-2H3 (INChI)
  • QMMFVYPAHWMCMS-UHFFFAOYSA-N (InChI Key)
  • InChI=1/C2H6S/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
10038736 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 comments1053.MOL; Multiplicities generated automatically from H count
Additional information
Spectrum categories


Spectral Data   Additional Data   Download  
Type: 1H 60 Double click to get resizeable window!
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
1-H 2.14
3-H 2.14

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