Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C13H12O2S2/c14-12-9-4-1-2-5-11(9)15-8-10(12)13-16-6-3-7-17-13/h1-2,4-5,8,13H,3,6-7H2
SMILES	O=c1c(coc2c1cccc2)C1SCCCS1
InChI Key	LYYMYGNCESQRAA-UHFFFAOYSA-N
Molecular Formula	C13H12O2S2
Exact Mass	264.363 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/LYYMYGNCESQRAA-UHFFFAOYSA-N/NMR/13C/CDCL3/75
License URL
Source	https://www.chemotion-repository.net/inchikey/LYYMYGNCESQRAA-UHFFFAOYSA-N/NMR/13C/CDCL3/75
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:55:13.846799
MetadataModified	2024-09-07T12:20:46.552556
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
73427312	PubChem
SCHEMBL16597331	SureChEMBL
J3.039.062H	Nikkaji
The data in this table is sourced from UniChem at EBI.