Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

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

Metadata Information

Field Value
DOI 10.14272/LIKMRBJSBUADIU-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/LIKMRBJSBUADIU-UHFFFAOYSA-N/CHMO0001146
Version
Author Peter Bäuerle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-11-19
Related Molecule
Field Value
Measurement Technique 1H–13C heteronuclear single quantum coherence
Measurement Variables
date : 2025-08-16

starting time : 21:40:50 UTC

creator : Sylvia Vanderheiden-Schroen

label : ComP-25226

id : 355779

Solvent : DMSO

temperature : 298.059233175618 K

PULPROG : hsqcedetgp

number of scans : 2 scans

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.