Dataset

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

Chemical Information

InChI	InChI=1S/C80H38S18/c1-9-61(81-33-1)55-41-51(93-75(55)67-13-5-37-85-67)21-17-47-25-29-65(89-47)59-45-73(97-79(59)71-31-27-49(91-71)19-23-53-43-57(63-11-3-35-83-63)77(95-53)69-15-7-39-87-69)74-46-60(66-30-26-48(90-66)18-22-52-42-56(62-10-2-34-82-62)76(94-52)68-14-6-38-86-68)80(98-74)72-32-28-50(92-72)20-24-54-44-58(64-12-4-36-84-64)78(96-54)70-16-8-40-88-70/h1-16,25-46H
SMILES	c1csc(c1)c1sc(cc1c1cccs1)C#Cc1ccc(s1)c1cc(sc1c1ccc(s1)C#Cc1sc(c(c1)c1cccs1)c1cccs1)c1sc(c(c1)c1ccc(s1)C#Cc1sc(c(c1)c1cccs1)c1cccs1)c1ccc(s1)C#Cc1sc(c(c1)c1cccs1)c1cccs1
InChI Key	IUHMCMOAPIXMPK-UHFFFAOYSA-N
Exact Mass	1576.328 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/IUHMCMOAPIXMPK-UHFFFAOYSA-N/CHMO0001148
License URL
Source	https://www.chemotion-repository.net/inchikey/IUHMCMOAPIXMPK-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 : 2025-11-16 starting time : 08:09:15 UTC creator : Sylvia Vanderheiden-Schroen label : ComP-26286 id : 355148 Solvent : None temperature : 298.005067401314 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.