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/C47H34O2S4/c1-48-47(49-2)45(41-29-25-37(52-41)33-19-11-5-12-20-33)43(39-27-23-35(50-39)31-15-7-3-8-16-31)44(40-28-24-36(51-40)32-17-9-4-10-18-32)46(47)42-30-26-38(53-42)34-21-13-6-14-22-34/h3-30H,1-2H3
SMILES COC1(OC)C(=C(C(=C1c1ccc(s1)c1ccccc1)c1ccc(s1)c1ccccc1)c1ccc(s1)c1ccccc1)c1ccc(s1)c1ccccc1
InChI Key PRPPWJYUZWUXPD-UHFFFAOYSA-N
Exact Mass 759.032 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PRPPWJYUZWUXPD-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/PRPPWJYUZWUXPD-UHFFFAOYSA-N/CHMO0001146
Version
Author Peter Bäuerle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-11-19
Related Molecule
  • nfdi4chem-mol6775 (Unknown Molecule)
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    date : 2025-08-16

    starting time : 13:55:01 UTC

    creator : Sylvia Vanderheiden-Schroen

    label : ComP-26717

    id : 355358

    Solvent : CDCl3

    temperature : 298.063874245279 K

    PULPROG : hsqcedetgp

    number of scans : 2 scans

    instrument : Avance NEO 400

    Name : TopSpin

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.