BMRB

Biological Magnetic Resonance Data Bank


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

syringaldehyde

Graphical representations:

syringaldehyde image

Molecular Formula: C9 H10 O4

Natural Isotopic Abundance Mass: 182.1733

Mono-Isotopic Molecular Masses:

  • C12N14: 182.0579088094
  • C13N14: 191.0881023496
  • C12N15: 182.0579088094
  • C13N15: 191.0881023496

InCHi String: InChI=1S/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H3

canonical and isomeric SMILES: COC1=CC(=CC(=C1O)OC)C=O

PUBCHEM iupac NAME: PUBCHEM iupac CAS NAME
4-hydroxy-3,5-dimethoxybenzaldehyde

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
4-hydroxy-3,5-dimethoxy-benzaldehyde

PubChem Substance (SID):   85165368   24888572   151814
PubChem Compound (CID):   8655
KEGG: Compound ID   n/a
CAS Registry IDs:   134-96-3
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 86220_FLUKA   ZINC ZINC00152926   ChemIDplus 000134963   EINECS 205-167-5   NMRShiftDB 20035535   Beilstein Handbook Reference 4-08-00-02718   NIST Chemistry WebBook 3908415086   MMCD cq_XXXXX   MDL MFCD00006943

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.