Dataset

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

Chemical Information

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

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/SIKXTRIAIHKJEJ-UHFFFAOYSA-N/CHMO0001148
License URL
Source	https://www.chemotion-repository.net/inchikey/SIKXTRIAIHKJEJ-UHFFFAOYSA-N/CHMO0001148
Version
Author	Peter Bäuerle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-12-11
Related Molecule

Field	Value
Measurement Technique	1H–13C heteronuclear multiple bond coherence
Measurement Variables	date : 2025-12-02 starting time : 07:10:02 UTC creator : Sylvia Vanderheiden-Schroen label : ComP-27020 id : 355527 Solvent : CDCl3 temperature : 297.99473727852 K PULPROG : hmbcgpndqf number of scans : 8 scans instrument : Avance NEO 400 Name : TopSpin

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