Dataset

heteronuclear single quantum coherence (HSQC)

dataset for heteronuclear single quantum coherence (HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C26H20N2/c1-17-15-23(19-9-5-3-6-10-19)21-13-14-22-24(20-11-7-4-8-12-20)16-18(2)28-26(22)25(21)27-17/h3-16H,1-2H3
SMILES Cc1cc(c2ccccc2)c2c(n1)c1nc(C)cc(c1cc2)c1ccccc1
InChI Key STTGYIUESPWXOW-UHFFFAOYSA-N
Molecular Formula C26H20N2
Exact Mass 360.450 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/STTGYIUESPWXOW-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/STTGYIUESPWXOW-UHFFFAOYSA-N/CHMO0000604
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-04-25
Related Molecule
  • 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline
    • Field Value
    Measurement Technique heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL36914 SureChEMBL
    20201419 NMRShiftDB
    6489 Brenda
    CB2299411 ChemicalBook
    ZINC000008078162 ZINC
    92527 Brenda
    9THP2V94FX FDA SRS
    4733-39-5 ACToR
    14852500 PubChem: Thomson Pharma
    65149 PubChem
    479387 eMolecules
    DTXSID4063585 EPA CompTox Dashboard
    TICBUD CCDC
    HMDB0245527 Human Metabolome Database
    MCULE-5024840055 Mcule
    J8.767J Nikkaji
    CHEMBL220061 ChEMBL
    The data in this table is sourced from UniChem at EBI.