Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/C32H30S8/c1(7-23-11-13-29(37-23)31-17-15-27(39-31)25-9-5-19-33-25)3-21-35-36-22-4-2-8-24-12-14-30(38-24)32-18-16-28(40-32)26-10-6-20-34-26/h5-6,9-20H,1-4,7-8,21-22H2
SMILES	C(SSCCCCc1ccc(s1)c1ccc(s1)c1cccs1)CCCc1ccc(s1)c1ccc(s1)c1cccs1
InChI Key	ZPHCMDSWKQMZSY-UHFFFAOYSA-N
Exact Mass	671.101 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
  Go to source

• 13c-nuclear-magneti...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ZPHCMDSWKQMZSY-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/ZPHCMDSWKQMZSY-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 : 2025-10-14 Start time : 18:50:04 UTC Creator : Sylvia Vanderheiden-Schroen Label : SVS-4036 ID : 390100 Solvent : CDCl3 Temperature : 297.999767599185 K K Puls programme : zgpg30 Number of scans : 1024 Instrument : Avance NEO 400 Name : TopSpin

Data-Source Molecule ID	Data-Source
177693375	pubchem
The data in this table is sourced from UniChem at EBI.