Dataset
distortionless enhancement with polarization transfer (DEPT)
Chemical Info
InChI | InChI=1S/C8H6IN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H |
---|---|
SMILES | Ic1ccc2c(c1)[nH]cc2 |
InChI Key | UYFYWUXBZHYQRM-UHFFFAOYSA-N |
Molecular Formula | C8H6IN |
Exact Mass | 243.044 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/UYFYWUXBZHYQRM-UHFFFAOYSA-N/CHMO0000596 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/UYFYWUXBZHYQRM-UHFFFAOYSA-N/CHMO0000596 |
Version | |
Author | Niklas Krappel |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T01:23:25.231333 |
MetadataModified | 2024-09-08T01:23:25.231338 |
MetadataPublished | 2023-07-31 |
Field | Value |
---|---|
Measurement Technique | distortionless enhancement with polarization transfer |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
MolPort-023-334-275 | MolPort |
J2.076.890H | Nikkaji |
19232190 | eMolecules |
10999215 | PubChem |
16059033 | PubChem: Thomson Pharma |
SCHEMBL566682 | SureChEMBL |
DTXSID60451352 | EPA CompTox Dashboard |
ZINC000042689367 | ZINC |
CB32452233 | ChemicalBook |
The data in this table is sourced from UniChem at EBI. |