Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/C72H94N4S6Si/c1-7-13-19-25-27-33-39-83(40-34-28-26-20-14-8-2)65-47-63(69-57(37-31-23-17-11-5)45-61(79-69)67-55(35-29-21-15-9-3)43-59(77-67)41-53(49-73)50-74)81-71(65)72-66(83)48-64(82-72)70-58(38-32-24-18-12-6)46-62(80-70)68-56(36-30-22-16-10-4)44-60(78-68)42-54(51-75)52-76/h41-48H,7-40H2,1-6H3
SMILES	CCCCCCCC[Si]1(CCCCCCCC)c2cc(sc2-c2c1cc(s2)c1sc(cc1CCCCCC)c1sc(cc1CCCCCC)C=C(C#N)C#N)c1sc(cc1CCCCCC)c1sc(cc1CCCCCC)C=C(C#N)C#N
InChI Key	YKJCPLQJCKUNBR-UHFFFAOYSA-N
Exact Mass	1236.019 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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• 13c-nuclear-magneti...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/YKJCPLQJCKUNBR-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/YKJCPLQJCKUNBR-UHFFFAOYSA-N/CHMO0000595
Version
Author	Peter Bäuerle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-11-19
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Date : 2025-11-02 Start time : 07:42:48 UTC Creator : Sylvia Vanderheiden-Schroen Label : ComP-25183 ID : 355694 Solvent : CDCl3 Temperature : 297.996264340151 K K Puls programme : zgpg30 Number of scans : 1024 Instrument : Avance NEO 400 Name : TopSpin

Data-Source Molecule ID	Data-Source
122376243	pubchem
The data in this table is sourced from UniChem at EBI.