13C nuclear magnetic resonance spectroscopy (13C NMR)

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Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image

InChI	InChI=1S/C5H4N2OS/c8-5-6-3-1-9-2-4(3)7-5/h1-2H,(H2,6,7,8)
SMILES	O=c1[nH]c2c([nH]1)csc2
InChI Key	LIKMRBJSBUADIU-UHFFFAOYSA-N
Exact Mass	140.163 g/mol

Data and Resources

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

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Metadata Information

Field	Value
DOI	10.14272/LIKMRBJSBUADIU-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/LIKMRBJSBUADIU-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 : 2025-08-16 Start time : 20:47:04 UTC Creator : Sylvia Vanderheiden-Schroen Label : ComP-25226 ID : 355779 Solvent : DMSO Temperature : 298.000665870733 K K Puls programme : zgpg30 Number of scans : 1024 Instrument : Avance NEO 400 Name : TopSpin

Data-Source Molecule ID	Data-Source
1986386	surechembl
54035172	pubchem
The data in this table is sourced from UniChem at EBI.