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Syringaldehyde
Syringaldehyde synonyms
Syringealdehyde; 3,5-Dimethoxy-4-hydroxybenzene carbonal; Benzaldehyde, 4-hydroxy-3,5-dimethoxy-; 4-Hydroksy-3,5-dwumetoksybenzaldehyd [Polish]; Gallaldehyde 3,5-dimethyl ether; Syringaldehyde; benzaldehyde, 4-hydroxy-3,5-dimethoxy-; Benzaldehyde, 3,5-dimethoxy-4-hydroxy-; 4-Hydroxy-3,5-dimethoxybenzaldehyde; Syringic aldehyde; Syringylaldehyde
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 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.
Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773