Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C40H27S9.3CH3.Sn/c1-21-5-9-29(42-21)26-19-36(48-39(26)34-11-7-23(3)44-34)31-14-13-28(46-31)25-17-18-41-38(25)33-16-15-32(47-33)37-20-27(30-10-6-22(2)43-30)40(49-37)35-12-8-24(4)45-35;;;;/h5-17,19-20H,1-4H3;3*1H3;
SMILES Cc1ccc(s1)c1sc(cc1c1ccc(s1)C)c1ccc(s1)c1cc(sc1c1ccc(s1)c1cc(c(s1)c1ccc(s1)C)c1ccc(s1)C)[Sn](C)(C)C
InChI Key SIKXTRIAIHKJEJ-UHFFFAOYSA-N
Exact Mass 960.032 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SIKXTRIAIHKJEJ-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/SIKXTRIAIHKJEJ-UHFFFAOYSA-N/CHMO0000595
Version
Author Peter Bäuerle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-12-11
Related Molecule
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Date : 2025-11-28

Start time : 16:13:00 UTC

Creator : Sylvia Vanderheiden-Schroen

Label : ComP-27020

ID : 355527

Solvent : CDCl3

Temperature : 297.998809442868 K K

Puls programme : zgpg30

Number of scans : 1024

Instrument : Avance NEO 400

Name : TopSpin

Data-Source Molecule ID Data-Source
177747855 pubchem
The data in this table is sourced from UniChem at EBI.