Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Information

InChI	InChI=1S/C43H34O2S8/c1-23-7-11-27(46-23)31-15-19-35(50-31)39-40(36-20-16-32(51-36)28-12-8-24(2)47-28)42(38-22-18-34(53-38)30-14-10-26(4)49-30)43(44-5,45-6)41(39)37-21-17-33(52-37)29-13-9-25(3)48-29/h7-22H,1-6H3
SMILES	COC1(OC)C(=C(C(=C1c1ccc(s1)c1ccc(s1)C)c1ccc(s1)c1ccc(s1)C)c1ccc(s1)c1ccc(s1)C)c1ccc(s1)c1ccc(s1)C
InChI Key	KSFSIQSBJXEAPQ-UHFFFAOYSA-N
Exact Mass	839.249 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/KSFSIQSBJXEAPQ-UHFFFAOYSA-N/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/KSFSIQSBJXEAPQ-UHFFFAOYSA-N/CHMO0001146
Version
Author	Peter Bäuerle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-11-19
Related Molecule

Field	Value
Measurement Technique	1H–13C heteronuclear single quantum coherence
Measurement Variables	date : 2025-10-14 starting time : 23:20:40 UTC creator : Sylvia Vanderheiden-Schroen label : SVS-4027 id : 390074 Solvent : CDCl3 temperature : 298.057706113988 K PULPROG : hsqcedetgp number of scans : 2 scans instrument : Avance NEO 400 Name : TopSpin

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