Dataset
distortionless enhancement with polarization transfer (DEPT)
Chemical Info
InChI | InChI=1S/C12H7Cl2N/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6,15H |
---|---|
SMILES | Clc1ccc2c(c1)c1cc(Cl)ccc1[nH]2 |
InChI Key | BIMDTNQPZWJKPL-UHFFFAOYSA-N |
Molecular Formula | C12H7Cl2N |
Exact Mass | 236.097 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/BIMDTNQPZWJKPL-UHFFFAOYSA-N/CHMO0000596 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/BIMDTNQPZWJKPL-UHFFFAOYSA-N/CHMO0000596 |
Version | |
Author | Victor Larignon |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T05:21:32.558950 |
MetadataModified | 2024-09-07T20:49:16.170887 |
MetadataPublished | 2021-12-25 |
Field | Value |
---|---|
Measurement Technique | distortionless enhancement with polarization transfer |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
BABCIU | CCDC |
DTXSID40284786 | EPA CompTox Dashboard |
CB8465782 | ChemicalBook |
J81.060F | Nikkaji |
ZINC000000134267 | ZINC |
236487 | PubChem |
SCHEMBL607827 | SureChEMBL |
CHEMBL5090876 | ChEMBL |
5599-71-3 | ACToR |
918729 | eMolecules |
MCULE-9588565169 | Mcule |
The data in this table is sourced from UniChem at EBI. |