Dataset

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

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

Chemical Information

molecular Image
InChI InChI=1S/C30H31NS/c1-29(2,3)21-11-15-26-24(18-21)25-19-22(30(4,5)6)12-16-27(25)31(26)23-13-9-20(10-14-23)28-8-7-17-32-28/h7-19H,1-6H3
SMILES CC(c1ccc2c(c1)c1cc(ccc1n2c1ccc(cc1)c1cccs1)C(C)(C)C)(C)C
InChI Key KPGRRBWOUZPPTI-UHFFFAOYSA-N
Molecular Formula C30H31NS
Exact Mass 437.639 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KPGRRBWOUZPPTI-UHFFFAOYSA-N/CHMO0001071
License URL
Source https://www.chemotion-repository.net/inchikey/KPGRRBWOUZPPTI-UHFFFAOYSA-N/CHMO0001071
Version
Author Steffen Otterbach
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-11-13
Related Molecule
  • 3,6-ditert-butyl-9-(4-thiophen-2-ylphenyl)carbazole
    • Field Value
    Measurement Technique heteronuclear single quantum coherence total correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    132497699 PubChem
    J3.624.539E Nikkaji
    The data in this table is sourced from UniChem at EBI.