Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C7H7N3O2S/c1-6-2-4-7(5-3-6)13(11,12)10-9-8/h2-5H,1H3
SMILES Cc1ccc(cc1)S(=O)(=O)N=[N+]=[N-]
InChI Key NDLIRBZKZSDGSO-UHFFFAOYSA-N
Molecular Formula C7H7N3O2S
Exact Mass 197.214 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NDLIRBZKZSDGSO-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/NDLIRBZKZSDGSO-UHFFFAOYSA-N/CHMO0000593
Version
Author Julian Brückel
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T08:26:58.002490
MetadataModified 2024-09-08T00:27:16.684607
MetadataPublished 2023-02-28
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
2733383 eMolecules
10171433 eMolecules
67842-69-7 ACToR
941-55-9 ACToR
14748634 PubChem: Thomson Pharma
5359526 PubChem
SCHEMBL137120 SureChEMBL
ZINC000004984589 ZINC
DTXSID4061333 EPA CompTox Dashboard
MCULE-8753634248 Mcule
CB5497870 ChemicalBook
J145.099I Nikkaji
97F7BLE97S FDA SRS
13661 PubChem
The data in this table is sourced from UniChem at EBI.