Dataset

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

Chemical Information

InChI	InChI=1S/C78H110N4O4S6/c1-7-13-19-25-31-37-43-55(44-38-32-26-20-14-8-2)81-59-51-65(63-49-57-69(87-63)77(85)79(75(57)83)47-41-35-29-23-17-11-5)89-71(59)73-61(81)53-67(91-73)68-54-62-74(92-68)72-60(82(62)56(45-39-33-27-21-15-9-3)46-40-34-28-22-16-10-4)52-66(90-72)64-50-58-70(88-64)78(86)80(76(58)84)48-42-36-30-24-18-12-6/h49-56H,7-48H2,1-6H3
SMILES	CCCCCCCCC(n1c2cc(sc2c2c1cc(s2)c1sc2c(c1)n(c1c2sc(c1)c1cc2c(s1)C(=O)N(C2=O)CCCCCCCC)C(CCCCCCCC)CCCCCCCC)c1cc2c(s1)C(=O)N(C2=O)CCCCCCCC)CCCCCCCC
InChI Key	QHHBBILLOPXLDJ-UHFFFAOYSA-N
Exact Mass	1360.122 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QHHBBILLOPXLDJ-UHFFFAOYSA-N/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/QHHBBILLOPXLDJ-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 : 2025-10-31 starting time : 15:57:01 UTC creator : Sylvia Vanderheiden-Schroen label : ComP-25184 id : 355693 Solvent : CDCl3 temperature : 298.069413586488 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.