Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/C10H16S/c1-2-3-4-5-7-10-8-6-9-11-10/h6,8-9H,2-5,7H2,1H3
SMILES	CCCCCCc1cccs1
InChI Key	QZVHYFUVMQIGGM-UHFFFAOYSA-N
Molecular Formula	C10H16S
Exact Mass	168.299 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QZVHYFUVMQIGGM-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/QZVHYFUVMQIGGM-UHFFFAOYSA-N/CHMO0000595
Version
Author	Peter Bäuerle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-12-11
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Date : 2025-11-25 Start time : 00:46:55 UTC Creator : Sylvia Vanderheiden-Schroen Label : ComP-25564 ID : 355804 Solvent : CDCl3 Temperature : 298.000037080649 K K Puls programme : zgpg30 Number of scans : 1024 Instrument : Avance NEO 400 Name : TopSpin

Data-Source Molecule ID	Data-Source
CHEBI:168978	chebi
28940	surechembl
87793	pubchem
82479467Q1	fdasrs
PD157941	probes_and_drugs
HMDB0032329	hmdb
Molport-003-914-931	molport
The data in this table is sourced from UniChem at EBI.