13C nuclear magnetic resonance spectroscopy (13C NMR)

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The Chemotion Repository contains various analytical data of molecules like NMR, MS, IR or UV Spectra. Chemotion (as of May 2022) contains 9719 analytical datasets (3930 NMR,...

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Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n

Chemical Info

molecular Image

InChI	InChI=1S/C5H10OS2/c6-1-5-2-7-4-8-3-5/h5-6H,1-4H2
SMILES	OCC1CSCSC1
InChI Key	SYCQUNJUFCLEDD-UHFFFAOYSA-N
Molecular Formula	C5H10OS2
Exact Mass	150.262 g/mol

Data and Resources

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

Field	Value
DOI	10.14272/SYCQUNJUFCLEDD-UHFFFAOYSA-N/NMR/13C/CDCl3/125.1
License URL
Source	https://www.chemotion-repository.net/inchikey/SYCQUNJUFCLEDD-UHFFFAOYSA-N/NMR/13C/CDCl3/125.1
Version
Author	Steven Susanto
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:20:08.478318
MetadataModified	2024-09-07T14:14:18.505931
MetadataPublished	2016-11-17

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

Data-Source Molecule ID	Data-Source
SCHEMBL1865039	SureChEMBL
16695949	PubChem: Thomson Pharma
11593461	PubChem
J1.943.586E	Nikkaji
The data in this table is sourced from UniChem at EBI.