Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C80H42S20/c1-13-49(81-25-1)43-37-61(93-71(43)55-19-7-31-87-55)67-69(63-39-45(51-15-3-27-83-51)73(95-63)57-21-9-33-89-57)79(99-77(67)65-41-47(53-17-5-29-85-53)75(97-65)59-23-11-35-91-59)80-70(64-40-46(52-16-4-28-84-52)74(96-64)58-22-10-34-90-58)68(62-38-44(50-14-2-26-82-50)72(94-62)56-20-8-32-88-56)78(100-80)66-42-48(54-18-6-30-86-54)76(98-66)60-24-12-36-92-60/h1-42H
SMILES c1csc(c1)c1cc(sc1c1cccs1)c1c(c2cc(c(s2)c2cccs2)c2cccs2)c(sc1c1sc(c(c1c1cc(c(s1)c1cccs1)c1cccs1)c1cc(c(s1)c1cccs1)c1cccs1)c1cc(c(s1)c1cccs1)c1cccs1)c1cc(c(s1)c1cccs1)c1cccs1
InChI Key WEXFVPYRPFXPGE-UHFFFAOYSA-N
Exact Mass 1644.489 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WEXFVPYRPFXPGE-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/WEXFVPYRPFXPGE-UHFFFAOYSA-N/CHMO0001148
Version
Author Peter Bäuerle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-08-28
Related Molecule
  • 2,3,4-tris(4,5-dithiophen-2-ylthiophen-2-yl)-5-[3,4,5-tris(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene
    • Field Value
    Measurement Technique 1H–13C heteronuclear multiple bond coherence
    Measurement Variables
    title : SVS-X25014

    date : 20250225

    starting time : 5.47 h

    label : SVS-3850

    id : 356846

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.0 K

    PULPROG : hmbcgpndqf

    number of scans : 8 scans

    instrument : spect

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