1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

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Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

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

1H--13C heteronuclear multiple bond coherence...HTML

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Metadata Information

Field	Value
DOI	10.14272/LIKMRBJSBUADIU-UHFFFAOYSA-N/CHMO0001148
License URL
Source	https://www.chemotion-repository.net/inchikey/LIKMRBJSBUADIU-UHFFFAOYSA-N/CHMO0001148
Version
Author	Peter Bäuerle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-11-19
Related Molecule

Field	Value
Measurement Technique	1H–13C heteronuclear multiple bond coherence
Measurement Variables	date : 2025-08-16 starting time : 22:13:43 UTC creator : Sylvia Vanderheiden-Schroen label : ComP-25226 id : 355779 Solvent : DMSO temperature : 297.996982957389 K PULPROG : hmbcgpndqf number of scans : 8 scans instrument : Avance NEO 400 Name : TopSpin

Data-Source Molecule ID	Data-Source
54035172	PubChem
SCHEMBL1986386	SureChEMBL
The data in this table is sourced from UniChem at EBI.