Dataset

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

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

Chemical Information

molecular Image
InChI InChI=1S/C32H18S8/c1-5-23(33-13-1)29-17-19(31(39-29)27-7-3-15-35-27)21-9-11-25(37-21)26-12-10-22(38-26)20-18-30(24-6-2-14-34-24)40-32(20)28-8-4-16-36-28/h1-18H
SMILES c1csc(c1)c1sc(cc1c1ccc(s1)c1ccc(s1)c1cc(sc1c1cccs1)c1cccs1)c1cccs1
InChI Key BSOBHCHTLBDPRN-UHFFFAOYSA-N
Exact Mass 659.005 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BSOBHCHTLBDPRN-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/BSOBHCHTLBDPRN-UHFFFAOYSA-N/CHMO0001150
Version
Author Peter Bäuerle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-12-11
Related Molecule
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
date : 2025-11-25

starting time : 18:03:32 UTC

creator : Sylvia Vanderheiden-Schroen

label : ComP-24438

id : 355573

Solvent : None

temperature : 297.984946118654 K

PULPROG : cosygpppqf

number of scans : 1 scans

instrument : Avance NEO 400

Name : TopSpin

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