Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Info

molecular Image
InChI InChI=1S/C128H66S32/c1-19-67(129-49-1)97-103(73-25-7-55-135-73)119(153-113(97)83-31-13-61-141-83)89-41-37-79(147-89)109-111(81-39-43-91(149-81)121-105(75-27-9-57-137-75)99(69-21-3-51-131-69)115(155-121)85-33-15-63-143-85)127(159-125(109)95-47-45-93(151-95)123-107(77-29-11-59-139-77)101(71-23-5-53-133-71)117(157-123)87-35-17-65-145-87)128-112(82-40-44-92(150-82)122-106(76-28-10-58-138-76)100(70-22-4-52-132-70)116(156-122)86-34-16-64-144-86)110(80-38-42-90(148-80)120-104(74-26-8-56-136-74)98(68-20-2-50-130-68)114(154-120)84-32-14-62-142-84)126(160-128)96-48-46-94(152-96)124-108(78-30-12-60-140-78)102(72-24-6-54-134-72)118(158-124)88-36-18-66-146-88/h1-66H
SMILES c1csc(c1)c1c(c2cccs2)c(sc1c1cccs1)c1ccc(s1)c1c(sc(c1c1ccc(s1)c1sc(c(c1c1cccs1)c1cccs1)c1cccs1)c1ccc(s1)c1sc(c(c1c1cccs1)c1cccs1)c1cccs1)c1sc(c(c1c1ccc(s1)c1sc(c(c1c1cccs1)c1cccs1)c1cccs1)c1ccc(s1)c1sc(c(c1c1cccs1)c1cccs1)c1cccs1)c1ccc(s1)c1sc(c(c1c1cccs1)c1cccs1)c1cccs1
InChI Key JQLPOOSDULDAPH-UHFFFAOYSA-N
Exact Mass 2629.974 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JQLPOOSDULDAPH-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/JQLPOOSDULDAPH-UHFFFAOYSA-N/CHMO0001150
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-08-28
Related Molecule
  • 2,3,4-trithiophen-2-yl-5-[5-[2-[3,4,5-tris[5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-4,5-bis[5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]thiophene
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    temperature : 300.0 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    title : SVS-X25010

    date : 20250225

    starting time : 10.11 h

    instrument : spect

    label : SVS-3851

    id : 356852

    Solvent : chloroform-D1 (CDCl3)

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