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/C13H12INO2S/c1-10-6-8-11(9-7-10)18(16,17)15-13-5-3-2-4-12(13)14/h2-9,15H,1H3
SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1I
InChI Key TZKVYDXSGFMXDH-UHFFFAOYSA-N
Molecular Formula C13H12INO2S
Exact Mass 373.209 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/TZKVYDXSGFMXDH-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/TZKVYDXSGFMXDH-UHFFFAOYSA-N/CHMO0000593
Version
Author Helena Šimek
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T02:46:41.096234
MetadataModified 2024-09-07T17:26:35.932821
MetadataPublished 2020-04-03
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
1375894 PubChem
MCULE-5992333308 Mcule
16173167 PubChem: Thomson Pharma
SCHEMBL4376657 SureChEMBL
2340996 eMolecules
J323.512B Nikkaji
ZINC000001225619 ZINC
DTXSID70362400 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.