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/C14H8N2S3/c1-3-11(17-7-1)9-5-6-10(12-4-2-8-18-12)14-13(9)15-19-16-14/h1-8H
SMILES c1csc(c1)c1ccc(c2c1N=S=N2)c1cccs1
InChI Key XGERJWSXTKVPSV-UHFFFAOYSA-N
Exact Mass 300.422 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XGERJWSXTKVPSV-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/XGERJWSXTKVPSV-UHFFFAOYSA-N/CHMO0001148
Version
Author Peter Bäuerle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-12-11
Related Molecule
Field Value
Measurement Technique 1H–13C heteronuclear multiple bond coherence
Measurement Variables
title : SVS-X28027

date : 20250222

starting time : 14.29 h

label : SVS-3045

id : 350319

Solvent : None

temperature : 300.0 K

PULPROG : hmbcgpndqf

number of scans : 8 scans

instrument : spect

Data-Source Molecule ID Data-Source
CHEMBL2006064 chembl
41299 surechembl
396294 pubchem
PD220496 probes_and_drugs
WULLIA CCDC
Molport-027-837-252 molport
The data in this table is sourced from UniChem at EBI.