Dataset

heteronuclear single quantum coherence total correlation spectroscopy (HSQC-TOCSY)

dataset for heteronuclear single quantum coherence total correlation spectroscopy (HSQC-TOCSY)

Chemical Info

molecular Image
InChI InChI=1S/C26H28BrN/c1-25(2,3)17-7-13-23-21(15-17)22-16-18(26(4,5)6)8-14-24(22)28(23)20-11-9-19(27)10-12-20/h7-16H,1-6H3
SMILES Brc1ccc(cc1)n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C
InChI Key LAHSPJHDQUQBTB-UHFFFAOYSA-N
Molecular Formula C26H28BrN
Exact Mass 434.411 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LAHSPJHDQUQBTB-UHFFFAOYSA-N/CHMO0001071
License URL
Source https://www.chemotion-repository.net/inchikey/LAHSPJHDQUQBTB-UHFFFAOYSA-N/CHMO0001071
Version
Author Steffen Otterbach
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-11-13
Related Molecule
  • 9-(4-bromophenyl)-3,6-ditert-butylcarbazole
    • Field Value
    Measurement Technique heteronuclear single quantum coherence total correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL4369118 SureChEMBL
    57604191 PubChem
    CB72457296 ChemicalBook
    J1.865.124F Nikkaji
    ZINC000090549590 ZINC
    OCACEC CCDC
    DTXSID50727295 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.