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

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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/C5H4N2S2/c8-5-6-3-1-9-2-4(3)7-5/h1-2H,(H2,6,7,8)
SMILES	S=c1[nH]c2c([nH]1)csc2
InChI Key	JITVQETUYJVBKJ-UHFFFAOYSA-N
Exact Mass	156.229 g/mol

Data and Resources

1H--13C heteronuclear single quantum coherence...HTML

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Metadata Information

Field	Value
DOI	10.14272/JITVQETUYJVBKJ-UHFFFAOYSA-N/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/JITVQETUYJVBKJ-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 : 02:33:11 UTC creator : Sylvia Vanderheiden-Schroen label : ComP-26256 id : 355173 Solvent : DMSO temperature : 298.049771381986 K PULPROG : hsqcedetgp number of scans : 2 scans instrument : Avance NEO 400 Name : TopSpin

Data-Source Molecule ID	Data-Source
4291660	surechembl
6326676	surechembl
13142887	pubchem
The data in this table is sourced from UniChem at EBI.