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/C42H28/c1-5-17-29(18-6-1)37-33-25-13-14-26-34(33)39(31-21-9-3-10-22-31)42-40(32-23-11-4-12-24-32)36-28-16-15-27-35(36)38(41(37)42)30-19-7-2-8-20-30/h1-28H
SMILES c1ccc(cc1)c1c2ccccc2c(c2c1c(c1ccccc1)c1ccccc1c2c1ccccc1)c1ccccc1
InChI Key YYMBJDOZVAITBP-UHFFFAOYSA-N
Exact Mass 532.672 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YYMBJDOZVAITBP-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/YYMBJDOZVAITBP-UHFFFAOYSA-N/CHMO0001146
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-04-09
Related Molecule
  • 5,6,11,12-tetraphenyltetracene
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    date : 2026-03-21

    starting time : 22:53:48 UTC

    creator : Chemical Complat

    Solvent : CDCl3

    temperature : 298.028721885394 K

    PULPROG : hsqcedetgp

    number of scans : 2 scans

    instrument : Avance NEO 400

    Name : TopSpin

    Data-Source Molecule ID Data-Source
    20936 surechembl
    68203 pubchem
    QQQCIG CCDC
    DTXSID8060161 comptox
    Molport-003-713-028 molport
    The data in this table is sourced from UniChem at EBI.