Dataset
distortionless enhancement with polarization transfer (DEPT)
Chemical Info
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 |
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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/CHMO0000596 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/TZKVYDXSGFMXDH-UHFFFAOYSA-N/CHMO0000596 |
Version | |
Author | Helena Šimek |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T02:46:50.435953 |
MetadataModified | 2024-09-07T17:26:23.418242 |
MetadataPublished | 2020-04-03 |
Field | Value |
---|---|
Measurement Technique | distortionless enhancement with polarization transfer |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
1375894 | PubChem |
MCULE-5992333308 | Mcule |
ZINC000001225619 | ZINC |
DTXSID70362400 | EPA CompTox Dashboard |
J323.512B | Nikkaji |
16173167 | PubChem: Thomson Pharma |
SCHEMBL4376657 | SureChEMBL |
2340996 | eMolecules |
The data in this table is sourced from UniChem at EBI. |