Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C31H21NOS4/c1-33-25-12-10-24(11-13-25)32(22-6-2-20(3-7-22)28-18-30-26(36-28)14-16-34-30)23-8-4-21(5-9-23)29-19-31-27(37-29)15-17-35-31/h2-19H,1H3
SMILES COc1ccc(cc1)N(c1ccc(cc1)c1cc2c(s1)ccs2)c1ccc(cc1)c1cc2c(s1)ccs2
InChI Key AQCBNUCXBUCINR-UHFFFAOYSA-N
Molecular Formula C31H21NOS4
Exact Mass 551.765 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AQCBNUCXBUCINR-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/AQCBNUCXBUCINR-UHFFFAOYSA-N/CHMO0001146
Version
Author Henrik Tappert
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-06-05
Related Molecule
  • N-(4-methoxyphenyl)-4-thieno[3,2-b]thiophen-5-yl-N-(4-thieno[3,2-b]thiophen-5-ylphenyl)aniline
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    title : Aug19-2024

    date : 20240819

    starting time : 23.28 h

    label : HT-1438

    id : 318282

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : hsqcedetgpsisp2.3

    number of scans : 4 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    118274774 PubChem
    SCHEMBL16968378 SureChEMBL
    The data in this table is sourced from UniChem at EBI.