Dataset

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

Chemical Information

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

• 1H--13C heteronuclear multiple bond coherence...HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/BSOBHCHTLBDPRN-UHFFFAOYSA-N/CHMO0001148
License URL
Source	https://www.chemotion-repository.net/inchikey/BSOBHCHTLBDPRN-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 : 2025-11-25 starting time : 18:53:33 UTC creator : Sylvia Vanderheiden-Schroen label : ComP-24438 id : 355573 Solvent : None temperature : 298.002282759518 K PULPROG : hmbcgpndqf number of scans : 8 scans instrument : Avance NEO 400 Name : TopSpin

Data-Source Molecule ID	Data-Source
177747861	pubchem
The data in this table is sourced from UniChem at EBI.