Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C21H14S2/c1-3-7-15(8-4-1)21(16-9-5-2-6-10-16)17-11-13-22-19(17)20-18(21)12-14-23-20/h1-14H
SMILES	c1ccc(cc1)C1(c2ccccc2)c2ccsc2-c2c1ccs2
InChI Key	YGRQOPXODHLOEM-UHFFFAOYSA-N
Molecular Formula	C21H14S2
Exact Mass	330.466 g/mol

Data and Resources

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

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/YGRQOPXODHLOEM-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/YGRQOPXODHLOEM-UHFFFAOYSA-N/CHMO0000595
Version
Author	Peter Baeuerle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:48:50.174084
MetadataModified	2025-01-29T16:41:10.506733
MetadataPublished	2024-12-03
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL14216949	SureChEMBL
58568176	PubChem
J3.066.088I	Nikkaji
The data in this table is sourced from UniChem at EBI.