BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Lignin_cw_compound_3049

Lignin_cw_compound_3049 synonyms

2,3-bis-ethylsulfanyl-6-methoxy-1H-inden-5-ol

Wikipedia:

Graphical representations:

lignin_cw_compound_3049 image

Molecular Formula: C14 H18 O2 S2

Natural Isotopic Abundance Mass: 282.42152

Mono-Isotopic Molecular Masses:

  • C12N14: 282.074821202
  • C13N14: 296.1217889312
  • C12N15: 282.074821202
  • C13N15: 296.1217889312

InCHi String:

Canonical and Isomeric SMILES: CCSC2=C(C1=CC(=C(C=C1C2)OC)O)SCC

Beilstein
2,3-bis-ethylsulfanyl-6-methoxy-1H-inden-5-ol

PubChem Substance (SID):   n/a
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 3049
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.